Skip to main content
NCBI home page
Acta Crystallographica Section E: Crystallographic Communications logoLink to Acta Crystallographica Section E: Crystallographic Communications
. 2026 Apr 2;82(Pt 5):422–425. doi: 10.1107/S2056989026002525

Synthesis and crystal structure of bis­[(1E,6E)-1,7-bis­(4-acet­yloxy-3-meth­oxy­phen­yl)hepta-1,6-diene-3,5-dionato(1−)-κ2O,O′](methanol)dioxidouranium(VI) toluene monosolvate

Van Ha Nguyen a, Thi Nguyet Trieu a, Chien Thang Pham a,*
Editor: G Ferrenceb
PMCID: PMC13148213  PMID: 42099420

The first uranium–curcuminoid complex, [U(C25H23O8)2O2(CH3OH)]·C6H5CH3, features a uran­yl(VI) center coordinated by two monoanionic bidentate 4,4′-di­acetyl­curcuminato ligands and one methanol mol­ecule. The uranium atom adopts a distorted penta­gonal–bipyramidal coordination geometry, with four O atoms from the β-diketonate moieties and one O atom from the methanol ligand defining the equatorial plane, while the two uranyl O atoms occupy the axial positions.

Keywords: curcumin; 4,4′-di­acetyl­curcumin; uranyl complex; crystal structure

Abstract

The first uranium–curcuminoid coordination compound has been synthesized and structurally characterized. The title complex, [U(O)2(C25H23O8)2(CH3OH)]·C6H5CH3, crystallizes in the monoclinic space group C2/c. The neutral complex comprises a uran­yl(VI) unit ({O=U=O}2+) coordinated by two monoanionic bidentate 4,4′-di­acetyl­curcuminato ligands (C25H23O8) and one methanol co-ligand, resulting in a distorted penta­gonal–bipyramidal coordination geometry. The O atoms from the β-diketonate moieties and the methanol mol­ecule form the equatorial plane, while the uranyl O atoms occupy the axial positions. In the crystal, O—H⋯O hydrogen bonds generate R22(26) ring motifs, forming zigzag chains along the a-axis direction. Additional weak C—H⋯O inter­actions further consolidate the crystal packing through inter­chain aggregation.

1. Chemical context

Curcumin [1,7-bis­(4-hy­droxy-3-meth­oxy­phen­yl)-1,6-hepta­diene-3,5-dione] is a major constituent of turmeric (Curcuma longa, Zingiberaceae) (Goel et al., 2008 ▸). Beyond its widespread use as a spice and natural food coloring, turmeric has been employed in traditional medicine to treat a broad spectrum of diseases (Goel et al., 2008 ▸; Esatbeyoglu et al., 2012 ▸). The therapeutic potential of curcumin has attracted considerable attention, and numerous studies have confirmed its anti­oxidant, anti-inflammatory (Menon et al., 2007 ▸; Dehzad et al., 2023 ▸), anti­carcinogenic (Salem et al., 2014 ▸), and anti­microbial (Dai et al., 2022 ▸) properties. From a chemical perspective, curcumin and its structural analogues are natural β-diketone ligands capable of chelating and forming stable complexes with a wide range of metal ions, including main group, transition, and rare-earth metals (Bhagat et al., 2025 ▸). In recent decades, metal-curcumin complexes have gained significant inter­est because of their diverse biological activities (Banerjee et al., 2015 ▸; Prasad et al., 2021 ▸; Bhagat et al., 2025 ▸). However, their application is often limited by extremely poor solubility in water and in most common organic solvents (Wanninger et al., 2015 ▸; Prasad et al., 2021 ▸). To overcome this limitation, structural modifications such as etherification or esterification of curcumin have been developed, leading to various derivatives and a number of structurally characterized metal complexes (Wang et al., 2014 ▸; Meza-Morales et al., 2019 ▸; Pham et al., 2020 ▸; Meza-Morales et al., 2023a ▸). Nevertheless, comprehensive structural data on curcuminoid complexes remain limited, and no actinide-curcumin complex has hitherto been structurally characterized. Herein, we report the synthesis and crystal structure of the first uranyl complex with acetyl­ated curcumin (4,4′-di­acetyl­curcumin, HL).1.

2. Structural commentary

The title compound crystallizes in the centrosymmetric monoclinic space group C2/c, with half of the mol­ecule, [U(O)2(L)2(CH3OH)]·C6H5CH3, in the asymmetric unit (Fig. 1 ▸). The complex consists of one uranyl unit (UO22+), two monodeprotonated acetyl­ated curcumin ligands {L}−, and one methanol co-ligand. The methanol mol­ecule is disordered over two symmetry-related sites with equal occupancy factors of 0.5. The uranium atom adopts a distorted penta­gonal–bipyramidal coordination geometry, with the oxido ligands occupying the axial positions. The {L}− ligands equatorially coordinate through (O,O)-chelating β-diketonate moieties, while the equatorial plane is completed by a disordered methanol ligand. The uranium atom lies 0.064 (6) Å out of the mean equatorial plane. The U=O bond length [1.772 (6) Å] and O=U=O bond angle [179.5 (3)°] fall within the expected range (Ainscough et al., 1998 ▸, Huuskonen et al., 2007 ▸, Al-Anber et al., 2011 ▸). The equatorial U1—O bond distances [U1—O1 = 2.345 (5) Å and U1—O3 = 2.351 (5) Å] are comparable to those reported for penta­gonal-bipyramidal β-diketonate uranyl complexes (Hernandez et al., 2022 ▸; Monzón González et al., 2024 ▸; Jabborova et al., 2024 ▸). The U—OMeOH bond distance [U1—O4 = 2.567 (9) Å] is longer than the U—OL bonds, indicating weaker coordination of the solvent mol­ecule compared to the chelating β-diketonate ligands. The C—C and C—O bond lengths within the chelate rings are consistent with those observed in related complexes of HL with other divalent metal ions (Meza-Morales et al., 2019 ▸; Pham et al., 2020 ▸). The partial double-bond character of these bonds reflects the expected π-electron delocalization within the β-diketonate moieties. Peripheral portions of the {L}− ligand are disordered over two positions, with refined occupancy factors of 0.5083 (1)/0.4916 (9) for one aromatic ring and its acetyl group, and 0.6046 (3)/0.3953 (7) for the acetyl group on the other ligand fragment.

Figure 1.

Figure 1

Open in a new tab

The mol­ecular structure of the title compound, with displacement ellipsoids drawn at the 50% probability level. Hydrogen atoms bonded to aromatic rings and methyl groups are omitted for clarity. Symmetry code: (§) −x + 1, y, −z + Inline graphic.

3. Supra­molecular features

In the crystal structure, the complex does not form columnar packing or significant π–π stacking inter­actions. The mol­ecules are arranged as discrete units, resulting in solvent-accessible voids. Void analysis performed using OLEX2 (Dolomanov et al., 2009 ▸) indicates that the structure occupies 3588.18 Å3 (63.31%) of the unit-cell volume, leaving void space that is occupied by toluene solvent mol­ecules. These solvent mol­ecules contribute to the overall cohesion of the crystal structure.

In the crystal, O—H⋯O hydrogen bonds between the hydroxyl groups of the disordered methanol mol­ecules and the carbonyl O40 atoms of adjacent units link the mol­ecules into inversion dimers via Inline graphic(26) hydrogen-bonding motifs (Fig. 2 ▸a, Table 1 ▸). These hydrogen bonds further connect the dimers into zigzag chains extending along the a-axis direction (Fig. 2 ▸b). In addition, weak C40A—H40D⋯O20B hydrogen bonds (Fig. 3 ▸a, Table 1 ▸) link the chains into a three-dimensional supra­molecular network (Fig. 3 ▸b). A further weak inter­molecular C30—H30⋯O2 contact also contributes to the consolidation of the crystal packing.

Figure 2.

Figure 2

Open in a new tab

(a) Mol­ecular packing diagram showing the Inline graphic(26) hydrogen-bonding motif. (b) Polymeric chains extending along the a-axis direction. Hydrogen bonds are shown as dashed lines. Solvent mol­ecules and hydrogen atoms not involved in hydrogen bonding have been omitted for clarity. Symmetry codes: (§) −x + 1, y, −z + Inline graphic; (i) x + Inline graphic, −y + Inline graphic, z − Inline graphic; (iii) −x + Inline graphic, −y + Inline graphic, −z; (iv) −x + Inline graphic, −y + Inline graphic, −z + 1; (v) x − Inline graphic, −y + Inline graphic, z + Inline graphic; (vi) x + 1, y, z − 1; (vii) −x + 2, y, −z − Inline graphic.

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A D—H H⋯A D⋯A D—H⋯A
O4—H4⋯O40Ai 0.84 2.33 2.99 (2) 136
O4—H4⋯O40Bi 0.84 2.67 3.23 (4) 125
C40A—H40D⋯O20Bii 0.98 2.46 3.25 (4) 137
C30—H30⋯O2ii 0.95 2.58 3.436 (9) 150
Open in a new tab

Symmetry codes: (i) Inline graphic; (ii) Inline graphic.

Figure 3.

Figure 3

Open in a new tab

(a) Mol­ecular packing diagram showing weak C—H⋯O hydrogen bonds between units in adjacent chains. Symmetry codes: (§) −x + 1, y, −z + Inline graphic; (iii) x, −y + 1, z + Inline graphic; (viii) −x + 1, −y + 1, −z + 1. (b) Crystal packing viewed along the a-axis direction illustrating the aggregation of chains. The central chain is highlighted for clarity. Hydrogen bonds are shown as dashed lines. Solvent mol­ecules and hydrogen atoms not involved in weak hydrogen bonds have been omitted for clarity.

4. Database survey

A search of the Cambridge Structural Database (CSD version 6.00, update on August 2025; Groom et al., 2016 ▸) resulted in 25 entries describing homoleptic metal complexes of curcumin and its derivatives. Among these, ten structures correspond to coordination compounds derived from 4,4′-di­acetyl­curcumin, including HOBDUA, JOCQEA, JOCQUQ, JOCRAX, PEJREE (Meza-Morales et al., 2019 ▸), KUNTUL, KUNVAT, KUNVEX, KUNVIB (Pham et al., 2020 ▸) and YIHKIN (Meza-Morales et al., 2023b ▸). A separate search for uranyl complexes based on β-diketone ligands returned 93 entries exhibiting penta­gonal–bipyramidal geometries similar to that observed in the title structure. Of these, fourteen structures have been reported within the past decade, including BUHDEP (Ma et al., 2015 ▸), NOVBUX (Kawasaki et al., 2015 ▸), VOWCUH (Vats et al., 2015 ▸), CIVVAH and CIVVEL (Carter et al., 2018 ▸), XEXZOS and XEXZUY (Kurzajewska et al., 2018 ▸), TAMTUA (Hernandez et al., 2022 ▸), EFOGOZ (Monzón González et al., 2024 ▸), GUGREJ (Jabborova et al., 2024 ▸), IMICEQ and IMICIU (Tafeenko et al., 2025 ▸), LAFKAJ and VACCAI (Clark et al., 2025 ▸).

5. Synthesis and crystallization

4,4′-Di­acetyl­curcumin (90.4 mg, 0.2 mmol) was added to 1.55 mL solution of UO2(OAc)2·2H2O (42.4 mg, 0.1 mmol) in MeOH. The color of the reaction mixture immediately changed from yellow to red–orange. After stirring the reaction mixture for 15 min, two drops of Et3N were added. Then, the temperature was increased to 313 K and kept for 1 h. During this process, a red–orange precipitate deposited, which was filtered off, washed with a small amount of MeOH and dried under vacuum. Single crystals suitable for X-ray analysis were obtained by slow evaporation of a solution of the complex in a mixture of CH2Cl2, MeOH and toluene. Yield: ∼70% (82 mg).

IR (KBr, cm−1): 3448 (br, m), 3005 (w), 2942 (w), 1764 (m), 1722 (m), 1627 (m), 1599 (m), 1511 (s), 1467 (m), 1394 (m), 1295 (m), 1259 (m), 1198 (m), 1156 (m), 1121 (m), 1031 (w), 985 (w), 905 (m), 849 (w), 606 (w), 466 (w).

1H NMR (500 MHz, CDCl3, ppm): 8.11 (br, d, J = 15.0 Hz, 2 H, CH), 7.62 (d, J = 16.0 Hz, 2 H, CH), 7.17–7.05 (m, 12 H, Ph), 6.98 (d, J = 15.5 Hz, 2 H, CH), 6.57 (d, J = 15.5 Hz, 2 H, CH), 6.01 (s, 1 H, CαH), 5.87 (s, 1 H, CαH), 3.88 (s, 6 H, OCH3), 3.78 (s, 6 H, OCH3), 2.36 (s, 6 H, CH3COO), 2.33 (s, 6 H, CH3).

6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 2 ▸. The aromatic ring (C12–C17) and its acetyl group are disordered over two positions with refined occupancies of 0.5083 (1):0.4916 (9); another acetyl group is disordered in a 0.6046 (3):0.3953 (7) ratio. Aromatic C atoms of the toluene solvent were restrained to be approximately isotropic (ISOR) and planar (FLAT). Bond distances C11—C12A, C15A—O19A and those within the toluene ring were restrained using DFIX 1.4, while equivalent C—C distances in disordered acetyl groups and toluene ring were constrained using SADI. Displacement ellipsoids of disordered atom pairs including (C20A, C20B), (C39A, C39B), (C40A, C40B) and (O40A, O40B) were restrained to be similar (EADP). The Uij values of disordered atoms and aromatic carbon atoms of the toluene solvent we restrained using RIGU. Hydrogen atoms were placed in calculated positions and refined using a riding model with isotropic displacement parameters based on those of the parent atom [C—H = 0.95 Å, Uiso(H) = 1.2UeqC for CH; C—H = 0.98 Å, Uiso(H) = 1.5UeqC for CH3; O—H = 0.84 Å, Uiso(H) = 1.5UeqO for OH]. Two reflections, (131) and (243), were omitted owing to poor agreement between observed and calculated intensities.

Table 2. Experimental details.

Crystal data
Chemical formula [U(C25H23O8)2O2(CH4O)]·C7H8
M r 1297.07
Crystal system, space group Monoclinic, C2/c
Temperature (K) 170
a, b, c (Å) 15.392 (4), 23.149 (6), 15.907 (4)
β (°) 90.577 (9)
V (Å3) 5668 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 2.94
Crystal size (mm) 0.25 × 0.18 × 0.12
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015 ▸)
Tmin, Tmax 0.595, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 35282, 5389, 4061
R int 0.080
(sin θ/λ)max (Å−1) 0.613
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.054, 0.147, 1.12
No. of reflections 5389
No. of parameters 519
No. of restraints 561
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.50, −0.85
Open in a new tab

Computer programs: APEX2 and SAINT (Bruker, 2014 ▸), SHELXT (Sheldrick, 2015a ▸), SHELXL2018/3 (Sheldrick, 2015b ▸) and OLEX2 (Dolomanov et al., 2009 ▸).

Supplementary Material

Crystal structure: contains datablock(s) I. DOI: 10.1107/S2056989026002525/ej2019sup1.cif

e-82-00422-sup1.cif (1MB, cif)

CCDC reference: 2536300

Additional supporting information: crystallographic information; 3D view; checkCIF report

supplementary crystallographic information

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Crystal data

[U(C25H23O8)2O2(CH4O)]·C7H8 F(000) = 2600
Mr = 1297.07 Dx = 1.520 Mg m−3
Monoclinic, C2/c Mo Kα radiation, λ = 0.71073 Å
a = 15.392 (4) Å Cell parameters from 9952 reflections
b = 23.149 (6) Å θ = 3.0–25.8°
c = 15.907 (4) Å µ = 2.94 mm−1
β = 90.577 (9)° T = 170 K
V = 5668 (3) Å3 Block, dark orange
Z = 4 0.25 × 0.18 × 0.12 mm
Open in a new tab

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Data collection

Bruker APEXII CCD diffractometer 4061 reflections with I > 2σ(I)
φ and ω scans Rint = 0.080
Absorption correction: multi-scan (SADABS; Krause et al., 2015) θmax = 25.8°, θmin = 3.0°
Tmin = 0.595, Tmax = 0.745 h = −16→18
35282 measured reflections k = −28→28
5389 independent reflections l = −19→19
Open in a new tab

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Refinement

Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.054 H-atom parameters constrained
wR(F2) = 0.147 w = 1/[σ2(Fo2) + (0.0669P)2 + 25.8409P] where P = (Fo2 + 2Fc2)/3
S = 1.12 (Δ/σ)max < 0.001
5389 reflections Δρmax = 1.50 e Å−3
519 parameters Δρmin = −0.85 e Å−3
561 restraints
Open in a new tab

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Open in a new tab

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

x y z Uiso*/Ueq Occ. (<1)
U1 0.500000 0.50545 (2) 0.250000 0.05680 (18)
O2 0.4046 (4) 0.5058 (2) 0.1867 (3) 0.0668 (14)
O1 0.4467 (4) 0.42789 (19) 0.3290 (3) 0.0598 (13)
O3 0.4215 (4) 0.5436 (2) 0.3633 (3) 0.0702 (15)
O38 0.3369 (5) 0.8280 (3) 0.5497 (5) 0.101 (2)
C1 0.4172 (5) 0.4220 (3) 0.4034 (5) 0.0526 (16)
C3 0.4021 (5) 0.5249 (3) 0.4367 (4) 0.0518 (16)
C10 0.4020 (5) 0.3630 (3) 0.4337 (5) 0.065 (2)
H10 0.372203 0.359431 0.485431 0.078*
C31 0.3808 (5) 0.6236 (3) 0.4885 (5) 0.0565 (18)
H31 0.393299 0.635888 0.432905 0.068*
C2 0.3978 (6) 0.4674 (3) 0.4561 (5) 0.064 (2)
H2 0.379594 0.457766 0.511265 0.077*
C32 0.3639 (5) 0.6697 (3) 0.5490 (5) 0.0613 (19)
C30 0.3811 (5) 0.5683 (3) 0.5006 (5) 0.0573 (18)
H30 0.366567 0.554765 0.555099 0.069*
C33 0.3596 (6) 0.7257 (3) 0.5195 (6) 0.068 (2)
H33 0.368408 0.733321 0.461522 0.081*
C11 0.4247 (6) 0.3157 (3) 0.3977 (5) 0.067 (2)
H11 0.456935 0.317462 0.347134 0.081* 0.508 (10)
H11A 0.448394 0.321125 0.343338 0.081* 0.492 (10)
C37 0.3525 (6) 0.6591 (4) 0.6338 (5) 0.076 (2)
H37 0.356872 0.620859 0.654994 0.091*
C35 0.3296 (6) 0.7600 (4) 0.6582 (6) 0.087 (3)
C36 0.3347 (7) 0.7049 (5) 0.6883 (6) 0.092 (3)
H36 0.326007 0.697645 0.746387 0.110*
C34 0.3424 (6) 0.7714 (4) 0.5748 (6) 0.079 (2)
C38 0.3590 (8) 0.8419 (4) 0.4648 (9) 0.105 (3)
H38A 0.326945 0.816480 0.426151 0.158*
H38B 0.421559 0.836469 0.456974 0.158*
H38C 0.343645 0.882193 0.453055 0.158*
C13B 0.3955 (14) 0.2404 (9) 0.4996 (15) 0.068 (5) 0.492 (10)
H13B 0.379701 0.270341 0.537332 0.081* 0.492 (10)
C14A 0.4087 (18) 0.1541 (10) 0.423 (2) 0.082 (5) 0.508 (10)
C15A 0.3589 (15) 0.1477 (8) 0.4939 (16) 0.080 (5) 0.508 (10)
C14B 0.3915 (13) 0.1834 (8) 0.5236 (13) 0.067 (5) 0.492 (10)
C17A 0.3467 (18) 0.2500 (10) 0.4994 (17) 0.095 (7) 0.508 (10)
H17A 0.319308 0.282185 0.524921 0.114* 0.508 (10)
C13A 0.432 (2) 0.2090 (11) 0.3961 (18) 0.076 (6) 0.508 (10)
H13A 0.471153 0.211618 0.350243 0.091* 0.508 (10)
C12A 0.403 (3) 0.2611 (9) 0.432 (3) 0.076 (7) 0.508 (10)
O19A 0.3334 (13) 0.0913 (6) 0.5193 (13) 0.113 (6) 0.508 (10)
C15B 0.4158 (17) 0.1413 (9) 0.4687 (17) 0.071 (5) 0.492 (10)
C16B 0.4473 (15) 0.1547 (8) 0.3931 (16) 0.069 (5) 0.492 (10)
H16B 0.468259 0.124917 0.357690 0.083* 0.492 (10)
O19B 0.4177 (12) 0.0840 (6) 0.4973 (12) 0.105 (5) 0.492 (10)
O18A 0.4415 (11) 0.1047 (6) 0.3896 (10) 0.105 (5) 0.508 (10)
C18A 0.4869 (17) 0.1098 (10) 0.3160 (15) 0.112 (8) 0.508 (10)
H18A 0.467598 0.144500 0.285845 0.167* 0.508 (10)
H18B 0.476328 0.075701 0.280881 0.167* 0.508 (10)
H18C 0.549152 0.112882 0.328795 0.167* 0.508 (10)
O18B 0.3646 (12) 0.1657 (6) 0.6016 (10) 0.106 (6) 0.492 (10)
C12B 0.421 (3) 0.2523 (11) 0.425 (3) 0.067 (9) 0.492 (10)
C18B 0.3392 (17) 0.2079 (9) 0.6574 (14) 0.104 (8) 0.492 (10)
H18D 0.297215 0.233722 0.629780 0.156* 0.492 (10)
H18E 0.390035 0.230257 0.675735 0.156* 0.492 (10)
H18F 0.312142 0.189845 0.706314 0.156* 0.492 (10)
C16A 0.327 (2) 0.1922 (9) 0.5336 (18) 0.110 (8) 0.508 (10)
H16A 0.292933 0.187613 0.582515 0.132* 0.508 (10)
O20B 0.2817 (14) 0.0707 (10) 0.4557 (15) 0.144 (8) 0.492 (10)
O20A 0.4621 (13) 0.0733 (7) 0.5756 (13) 0.127 (6) 0.508 (10)
C19B 0.350 (2) 0.0521 (13) 0.491 (2) 0.115 (8) 0.492 (10)
C19A 0.389 (2) 0.0561 (10) 0.554 (2) 0.116 (8) 0.508 (10)
O39B 0.303 (3) 0.7992 (17) 0.722 (3) 0.089 (8) 0.40 (2)
O40B 0.169 (2) 0.7907 (13) 0.688 (2) 0.095 (4) 0.40 (2)
C39B 0.228 (3) 0.8160 (16) 0.730 (3) 0.086 (7) 0.40 (2)
C40B 0.212 (3) 0.8665 (18) 0.784 (3) 0.126 (9) 0.40 (2)
H40A 0.218743 0.854929 0.843348 0.189* 0.40 (2)
H40B 0.153465 0.881114 0.774306 0.189* 0.40 (2)
H40C 0.254641 0.896842 0.771628 0.189* 0.40 (2)
O4 0.5292 (8) 0.6146 (4) 0.2494 (12) 0.080 (5) 0.5
H4 0.575033 0.615103 0.221182 0.120* 0.5
C4 0.540 (2) 0.6518 (13) 0.3234 (19) 0.176 (16) 0.5
H4A 0.545639 0.692077 0.305402 0.264* 0.5
H4B 0.592321 0.640222 0.354705 0.264* 0.5
H4C 0.489167 0.647879 0.359607 0.264* 0.5
C40A 0.2551 (17) 0.8910 (12) 0.761 (2) 0.126 (9) 0.60 (2)
H40D 0.283804 0.884775 0.815389 0.189* 0.60 (2)
H40E 0.196377 0.906008 0.769702 0.189* 0.60 (2)
H40F 0.288578 0.918836 0.728014 0.189* 0.60 (2)
C17B 0.450 (3) 0.2140 (11) 0.364 (2) 0.078 (7) 0.492 (10)
H17B 0.469024 0.225407 0.310347 0.093* 0.492 (10)
C20B 0.361 (10) −0.003 (3) 0.534 (13) 0.17 (3) 0.37 (19)
H20A 0.324632 −0.003836 0.584783 0.258* 0.37 (19)
H20B 0.421930 −0.008150 0.550824 0.258* 0.37 (19)
H20C 0.343336 −0.034910 0.496940 0.258* 0.37 (19)
C53 0.2151 (14) 0.4419 (13) 0.242 (2) 0.170 (10) 0.5
H53 0.267406 0.454385 0.268713 0.203* 0.5
C54 0.173 (2) 0.4765 (10) 0.1843 (17) 0.169 (10) 0.5
H54 0.203863 0.506632 0.157169 0.203* 0.5
C55 0.087 (2) 0.4679 (12) 0.1655 (16) 0.187 (10) 0.5
H55 0.055147 0.495542 0.133126 0.224* 0.5
C56 0.0454 (15) 0.4182 (16) 0.195 (2) 0.216 (12) 0.5
H56 −0.015053 0.412627 0.184968 0.260* 0.5
C51 0.094 (2) 0.3768 (12) 0.238 (3) 0.214 (12) 0.5
C52 0.179 (2) 0.3887 (13) 0.261 (2) 0.206 (11) 0.5
H52 0.213200 0.360330 0.289331 0.247* 0.5
C20A 0.357 (6) −0.0027 (18) 0.570 (9) 0.17 (3) 0.63 (19)
H20D 0.398901 −0.030934 0.549149 0.258* 0.63 (19)
H20E 0.300966 −0.008289 0.540742 0.258* 0.63 (19)
H20F 0.349027 −0.008060 0.630419 0.258* 0.63 (19)
O39A 0.3265 (15) 0.8105 (13) 0.7069 (18) 0.102 (8) 0.60 (2)
C39A 0.2499 (18) 0.8360 (11) 0.7152 (17) 0.086 (7) 0.60 (2)
O40A 0.1817 (15) 0.8166 (9) 0.6915 (14) 0.095 (4) 0.60 (2)
C50 0.051 (3) 0.3265 (17) 0.266 (3) 0.238 (18) 0.5
H50A 0.004228 0.337362 0.303933 0.358* 0.5
H50B 0.092790 0.301667 0.295870 0.358* 0.5
H50C 0.026877 0.305478 0.217622 0.358* 0.5
Open in a new tab

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Atomic displacement parameters (Å2)

U11 U22 U33 U12 U13 U23
U1 0.0993 (4) 0.0338 (2) 0.0371 (2) 0.000 −0.00774 (18) 0.000
O2 0.097 (4) 0.055 (3) 0.049 (3) 0.020 (3) −0.009 (3) −0.009 (2)
O1 0.082 (4) 0.039 (2) 0.059 (3) −0.004 (2) 0.006 (3) 0.000 (2)
O3 0.113 (5) 0.045 (3) 0.052 (3) 0.007 (3) 0.006 (3) −0.001 (2)
O38 0.117 (6) 0.062 (3) 0.123 (5) 0.021 (4) −0.042 (5) −0.034 (3)
C1 0.055 (5) 0.047 (3) 0.056 (4) −0.006 (3) −0.006 (3) 0.008 (3)
C3 0.054 (5) 0.055 (3) 0.046 (3) 0.007 (3) −0.005 (3) 0.005 (3)
C10 0.070 (6) 0.057 (3) 0.067 (5) −0.011 (4) −0.001 (4) 0.008 (3)
C31 0.061 (5) 0.061 (3) 0.048 (4) 0.015 (3) −0.002 (4) −0.003 (3)
C2 0.080 (6) 0.054 (3) 0.058 (4) 0.001 (4) 0.002 (4) 0.006 (3)
C32 0.060 (5) 0.069 (4) 0.055 (4) 0.018 (4) −0.018 (4) −0.015 (3)
C30 0.063 (5) 0.059 (3) 0.050 (4) 0.007 (3) −0.003 (4) 0.000 (3)
C33 0.070 (6) 0.063 (4) 0.069 (5) 0.017 (4) −0.020 (4) −0.019 (3)
C11 0.080 (6) 0.053 (3) 0.067 (5) −0.009 (4) −0.023 (4) 0.000 (3)
C37 0.082 (6) 0.087 (5) 0.059 (4) 0.033 (5) −0.014 (4) −0.016 (4)
C35 0.084 (6) 0.096 (5) 0.079 (5) 0.040 (5) −0.036 (5) −0.041 (4)
C36 0.103 (8) 0.113 (6) 0.059 (5) 0.043 (6) −0.023 (5) −0.031 (4)
C34 0.079 (6) 0.068 (4) 0.088 (5) 0.021 (4) −0.032 (5) −0.031 (4)
C38 0.106 (9) 0.063 (6) 0.147 (8) 0.001 (5) −0.026 (8) −0.006 (6)
C13B 0.069 (14) 0.054 (7) 0.080 (9) 0.006 (8) −0.001 (10) 0.012 (7)
C14A 0.068 (17) 0.068 (7) 0.110 (16) −0.024 (8) −0.015 (10) 0.018 (8)
C15A 0.061 (13) 0.062 (7) 0.118 (13) −0.025 (8) −0.012 (9) 0.013 (7)
C14B 0.053 (11) 0.057 (7) 0.092 (9) 0.014 (8) 0.020 (9) 0.020 (6)
C17A 0.11 (2) 0.069 (9) 0.103 (15) 0.002 (11) −0.014 (13) 0.016 (9)
C13A 0.085 (18) 0.057 (7) 0.085 (16) −0.017 (8) −0.035 (11) 0.017 (8)
C12A 0.065 (18) 0.058 (7) 0.103 (16) −0.019 (11) −0.044 (10) 0.010 (10)
O19A 0.118 (13) 0.067 (7) 0.153 (15) −0.028 (7) −0.005 (11) 0.038 (8)
C15B 0.056 (14) 0.057 (6) 0.100 (11) −0.009 (7) −0.002 (10) 0.002 (6)
C16B 0.057 (14) 0.051 (7) 0.098 (11) −0.004 (8) 0.005 (9) −0.011 (7)
O19B 0.118 (12) 0.052 (6) 0.146 (15) −0.004 (6) 0.002 (11) 0.017 (7)
O18A 0.150 (14) 0.070 (7) 0.097 (10) −0.021 (7) 0.009 (8) 0.012 (6)
C18A 0.13 (2) 0.091 (14) 0.109 (15) −0.017 (13) 0.016 (12) 0.019 (11)
O18B 0.156 (15) 0.061 (7) 0.101 (9) 0.004 (8) 0.050 (10) 0.022 (6)
C12B 0.08 (2) 0.053 (6) 0.066 (10) 0.018 (9) −0.015 (11) 0.001 (7)
C18B 0.13 (2) 0.089 (12) 0.092 (13) 0.014 (13) 0.050 (14) 0.024 (9)
C16A 0.13 (2) 0.067 (8) 0.129 (18) −0.032 (11) 0.009 (14) −0.003 (9)
O20B 0.128 (14) 0.147 (16) 0.156 (19) −0.053 (12) −0.006 (13) 0.021 (13)
O20A 0.145 (14) 0.092 (10) 0.142 (15) −0.005 (9) −0.031 (12) 0.019 (10)
C19B 0.135 (16) 0.086 (12) 0.12 (2) −0.033 (11) 0.015 (15) 0.007 (13)
C19A 0.149 (16) 0.069 (10) 0.13 (2) −0.013 (9) −0.027 (16) 0.013 (12)
O39B 0.101 (13) 0.089 (13) 0.075 (11) 0.045 (12) −0.023 (11) −0.028 (10)
O40B 0.101 (8) 0.097 (13) 0.086 (6) 0.022 (10) −0.016 (5) −0.023 (10)
C39B 0.089 (11) 0.096 (13) 0.073 (11) 0.033 (8) −0.020 (8) −0.013 (11)
C40B 0.078 (17) 0.122 (17) 0.18 (2) 0.026 (10) −0.012 (14) −0.072 (17)
O4 0.120 (16) 0.048 (5) 0.074 (7) −0.010 (5) 0.054 (12) −0.004 (6)
C4 0.18 (3) 0.18 (3) 0.18 (2) −0.10 (2) 0.11 (2) −0.11 (2)
C40A 0.078 (17) 0.122 (17) 0.18 (2) 0.026 (10) −0.012 (14) −0.072 (17)
C17B 0.097 (19) 0.056 (8) 0.081 (15) −0.003 (10) 0.002 (14) −0.008 (8)
C20B 0.199 (19) 0.063 (7) 0.26 (7) −0.015 (9) 0.03 (4) 0.021 (19)
C53 0.154 (18) 0.129 (17) 0.23 (3) 0.002 (13) 0.061 (17) −0.079 (16)
C54 0.21 (2) 0.120 (16) 0.18 (2) −0.029 (15) 0.033 (18) −0.094 (14)
C55 0.19 (2) 0.17 (2) 0.20 (3) −0.020 (17) 0.04 (2) −0.035 (19)
C56 0.21 (2) 0.19 (2) 0.24 (3) −0.054 (17) −0.02 (2) −0.01 (2)
C51 0.22 (2) 0.16 (2) 0.26 (3) −0.051 (16) −0.01 (2) −0.019 (19)
C52 0.20 (2) 0.165 (19) 0.25 (3) −0.029 (16) 0.01 (2) −0.034 (19)
C20A 0.199 (19) 0.063 (7) 0.26 (7) −0.015 (9) 0.03 (4) 0.021 (19)
O39A 0.085 (10) 0.117 (11) 0.104 (15) 0.027 (9) −0.017 (9) −0.069 (12)
C39A 0.089 (11) 0.096 (13) 0.073 (11) 0.033 (8) −0.020 (8) −0.013 (11)
O40A 0.101 (8) 0.097 (13) 0.086 (6) 0.022 (10) −0.016 (5) −0.023 (10)
C50 0.24 (3) 0.15 (3) 0.32 (5) −0.05 (2) 0.01 (4) −0.02 (3)
Open in a new tab

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Geometric parameters (Å, º)

U1—O2 1.772 (6) C15B—O19B 1.40 (2)
U1—O2i 1.772 (6) C16B—H16B 0.9500
U1—O1i 2.345 (5) C16B—C17B 1.45 (3)
U1—O1 2.345 (5) O19B—C19B 1.28 (3)
U1—O3i 2.351 (5) O18A—C18A 1.37 (2)
U1—O3 2.351 (5) C18A—H18A 0.9800
U1—O4i 2.567 (9) C18A—H18B 0.9800
U1—O4 2.567 (9) C18A—H18C 0.9800
O1—C1 1.279 (8) O18B—C18B 1.38 (2)
O3—C3 1.283 (9) C12B—C17B 1.39 (3)
O38—C34 1.372 (12) C18B—H18D 0.9800
O38—C38 1.434 (14) C18B—H18E 0.9800
C1—C10 1.468 (10) C18B—H18F 0.9800
C1—C2 1.379 (11) C16A—H16A 0.9500
C3—C2 1.370 (11) O20B—C19B 1.26 (4)
C3—C30 1.468 (10) O20A—C19A 1.24 (3)
C10—H10 0.9500 C19B—C20B 1.47 (5)
C10—C11 1.286 (11) C19A—C20A 1.47 (5)
C31—H31 0.9500 O39B—C39B 1.23 (4)
C31—C32 1.462 (10) O40B—C39B 1.26 (4)
C31—C30 1.295 (10) C39B—C40B 1.48 (2)
C2—H2 0.9500 C40B—H40A 0.9800
C32—C33 1.380 (11) C40B—H40B 0.9800
C32—C37 1.384 (11) C40B—H40C 0.9800
C30—H30 0.9500 O4—H4 0.8400
C33—H33 0.9500 O4—C4 1.47 (3)
C33—C34 1.403 (11) C4—H4A 0.9800
C11—H11 0.9500 C4—H4B 0.9800
C11—H11A 0.9500 C4—H4C 0.9800
C11—C12A 1.418 (18) C40A—H40D 0.9800
C11—C12B 1.53 (3) C40A—H40E 0.9800
C37—H37 0.9500 C40A—H40F 0.9800
C37—C36 1.398 (11) C40A—C39A 1.466 (19)
C35—C36 1.364 (15) C17B—H17B 0.9500
C35—C34 1.369 (14) C20B—H20A 0.9800
C35—O39B 1.42 (4) C20B—H20B 0.9800
C35—O39A 1.40 (3) C20B—H20C 0.9800
C36—H36 0.9500 C53—H53 0.9500
C38—H38A 0.9800 C53—C54 1.378 (10)
C38—H38B 0.9800 C53—C52 1.383 (10)
C38—H38C 0.9800 C54—H54 0.9500
C13B—H13B 0.9500 C54—C55 1.375 (10)
C13B—C14B 1.38 (3) C55—H55 0.9500
C13B—C12B 1.28 (4) C55—C56 1.395 (10)
C14A—C15A 1.38 (3) C56—H56 0.9500
C14A—C13A 1.39 (3) C56—C51 1.392 (10)
C14A—O18A 1.36 (3) C51—C52 1.391 (10)
C15A—O19A 1.423 (15) C51—C50 1.41 (4)
C15A—C16A 1.31 (3) C52—H52 0.9500
C14B—C15B 1.36 (3) C20A—H20D 0.9800
C14B—O18B 1.37 (2) C20A—H20E 0.9800
C17A—H17A 0.9500 C20A—H20F 0.9800
C17A—C12A 1.41 (4) O39A—C39A 1.33 (3)
C17A—C16A 1.48 (3) C39A—O40A 1.20 (3)
C13A—H13A 0.9500 C50—H50A 0.9800
C13A—C12A 1.41 (4) C50—H50B 0.9800
O19A—C19A 1.30 (3) C50—H50C 0.9800
C15B—C16B 1.34 (3)
O2—U1—O2i 179.5 (3) C16B—C15B—C14B 121 (2)
O2i—U1—O1i 90.9 (2) C16B—C15B—O19B 120 (2)
O2i—U1—O1 89.5 (2) C15B—C16B—H16B 119.5
O2—U1—O1i 89.5 (2) C15B—C16B—C17B 121 (2)
O2—U1—O1 90.9 (2) C17B—C16B—H16B 119.5
O2—U1—O3i 89.5 (2) C19B—O19B—C15B 120 (2)
O2i—U1—O3 89.5 (2) C14A—O18A—C18A 117.0 (19)
O2i—U1—O3i 90.3 (2) O18A—C18A—H18A 109.5
O2—U1—O3 90.3 (2) O18A—C18A—H18B 109.5
O2i—U1—O4 81.6 (4) O18A—C18A—H18C 109.5
O2i—U1—O4i 97.9 (4) H18A—C18A—H18B 109.5
O2—U1—O4i 81.6 (4) H18A—C18A—H18C 109.5
O2—U1—O4 97.9 (4) H18B—C18A—H18C 109.5
O1i—U1—O1 80.0 (2) C14B—O18B—C18B 117.4 (15)
O1—U1—O3i 152.09 (18) C13B—C12B—C11 119 (2)
O1—U1—O3 72.05 (17) C13B—C12B—C17B 128 (2)
O1i—U1—O3i 72.05 (17) C17B—C12B—C11 113 (2)
O1i—U1—O3 152.09 (18) O18B—C18B—H18D 109.5
O1i—U1—O4i 144.9 (4) O18B—C18B—H18E 109.5
O1—U1—O4 144.9 (4) O18B—C18B—H18F 109.5
O1i—U1—O4 133.6 (3) H18D—C18B—H18E 109.5
O1—U1—O4i 133.6 (3) H18D—C18B—H18F 109.5
O3i—U1—O3 135.9 (2) H18E—C18B—H18F 109.5
O3i—U1—O4i 74.0 (3) C15A—C16A—C17A 117 (3)
O3i—U1—O4 62.4 (3) C15A—C16A—H16A 121.4
O3—U1—O4 74.0 (3) C17A—C16A—H16A 121.4
O3—U1—O4i 62.4 (3) O19B—C19B—C20B 112 (7)
O4—U1—O4i 20.2 (6) O20B—C19B—O19B 121 (3)
C1—O1—U1 135.0 (4) O20B—C19B—C20B 127 (6)
C3—O3—U1 134.2 (5) O19A—C19A—C20A 116 (4)
C34—O38—C38 118.3 (8) O20A—C19A—O19A 121 (2)
O1—C1—C10 117.5 (7) O20A—C19A—C20A 124 (4)
O1—C1—C2 124.3 (6) C39B—O39B—C35 123 (3)
C2—C1—C10 118.2 (7) O39B—C39B—O40B 118 (3)
O3—C3—C2 123.1 (7) O39B—C39B—C40B 118 (4)
O3—C3—C30 117.1 (6) O40B—C39B—C40B 124 (3)
C2—C3—C30 119.8 (7) C39B—C40B—H40A 109.5
C1—C10—H10 116.5 C39B—C40B—H40B 109.5
C11—C10—C1 126.9 (8) C39B—C40B—H40C 109.5
C11—C10—H10 116.5 H40A—C40B—H40B 109.5
C32—C31—H31 115.7 H40A—C40B—H40C 109.5
C30—C31—H31 115.7 H40B—C40B—H40C 109.5
C30—C31—C32 128.5 (8) U1—O4—H4 99.4
C1—C2—H2 116.8 C4—O4—U1 126.4 (17)
C3—C2—C1 126.3 (7) C4—O4—H4 109.5
C3—C2—H2 116.8 O4—C4—O4i 30.1 (9)
C33—C32—C31 118.0 (7) O4i—C4—H4A 108.8
C33—C32—C37 119.5 (7) O4—C4—H4A 109.5
C37—C32—C31 122.6 (7) O4i—C4—H4B 132.8
C3—C30—H30 117.5 O4—C4—H4B 109.5
C31—C30—C3 125.0 (7) O4—C4—H4C 109.5
C31—C30—H30 117.5 O4i—C4—H4C 82.1
C32—C33—H33 119.9 H4A—C4—H4B 109.5
C32—C33—C34 120.2 (9) H4A—C4—H4C 109.5
C34—C33—H33 119.9 H4B—C4—H4C 109.5
C10—C11—H11 119.2 H40D—C40A—H40E 109.5
C10—C11—H11A 113.7 H40D—C40A—H40F 109.5
C10—C11—C12A 121.6 (17) H40E—C40A—H40F 109.5
C10—C11—C12B 132.6 (15) C39A—C40A—H40D 109.5
C12A—C11—H11 119.2 C39A—C40A—H40E 109.5
C12B—C11—H11A 113.7 C39A—C40A—H40F 109.5
C32—C37—H37 120.1 C16B—C17B—H17B 124.0
C32—C37—C36 119.9 (9) C12B—C17B—C16B 112 (2)
C36—C37—H37 120.1 C12B—C17B—H17B 124.0
C36—C35—C34 120.8 (8) C19B—C20B—H20A 109.5
C36—C35—O39B 111 (2) C19B—C20B—H20B 109.5
C36—C35—O39A 125.9 (16) C19B—C20B—H20C 109.5
C34—C35—O39B 127.8 (19) H20A—C20B—H20B 109.5
C34—C35—O39A 112.4 (17) H20A—C20B—H20C 109.5
C37—C36—H36 119.9 H20B—C20B—H20C 109.5
C35—C36—C37 120.1 (10) C54—C53—H53 120.8
C35—C36—H36 119.9 C54—C53—C52 118.4 (10)
O38—C34—C33 123.3 (10) C52—C53—H53 120.8
C35—C34—O38 117.2 (8) C53—C54—H54 119.7
C35—C34—C33 119.5 (9) C55—C54—C53 120.6 (10)
O38—C38—H38A 109.5 C55—C54—H54 119.7
O38—C38—H38B 109.5 C54—C55—H55 120.4
O38—C38—H38C 109.5 C54—C55—C56 119.3 (10)
H38A—C38—H38B 109.5 C56—C55—H55 120.4
H38A—C38—H38C 109.5 C55—C56—H56 120.4
H38B—C38—H38C 109.5 C51—C56—C55 119.2 (10)
C14B—C13B—H13B 120.7 C51—C56—H56 120.4
C12B—C13B—H13B 120.7 C56—C51—C50 118 (3)
C12B—C13B—C14B 119 (2) C52—C51—C56 119.7 (10)
C15A—C14A—C13A 120 (3) C52—C51—C50 121 (3)
O18A—C14A—C15A 116 (2) C53—C52—C51 119.8 (10)
O18A—C14A—C13A 123 (3) C53—C52—H52 120.1
C14A—C15A—O19A 119 (2) C51—C52—H52 120.1
C16A—C15A—C14A 122 (2) C19A—C20A—H20D 109.5
C16A—C15A—O19A 119 (2) C19A—C20A—H20E 109.5
C15B—C14B—C13B 120 (2) C19A—C20A—H20F 109.5
C15B—C14B—O18B 116.9 (18) H20D—C20A—H20E 109.5
O18B—C14B—C13B 123.5 (19) H20D—C20A—H20F 109.5
C12A—C17A—H17A 117.4 H20E—C20A—H20F 109.5
C12A—C17A—C16A 125 (2) C39A—O39A—C35 117.5 (19)
C16A—C17A—H17A 117.4 O39A—C39A—C40A 113 (2)
C14A—C13A—H13A 117.5 O40A—C39A—C40A 122 (2)
C14A—C13A—C12A 125 (3) O40A—C39A—O39A 125 (2)
C12A—C13A—H13A 117.5 C51—C50—H50A 109.5
C17A—C12A—C11 127 (3) C51—C50—H50B 109.5
C13A—C12A—C11 122 (3) C51—C50—H50C 109.5
C13A—C12A—C17A 110.6 (18) H50A—C50—H50B 109.5
C19A—O19A—C15A 121 (2) H50A—C50—H50C 109.5
C14B—C15B—O19B 118 (2) H50B—C50—H50C 109.5
U1—O1—C1—C10 −171.1 (5) C14A—C15A—O19A—C19A 74 (3)
U1—O1—C1—C2 9.9 (12) C14A—C15A—C16A—C17A 0 (4)
U1—O3—C3—C2 −24.7 (12) C14A—C13A—C12A—C11 −176 (3)
U1—O3—C3—C30 157.3 (5) C14A—C13A—C12A—C17A 1 (5)
U1—O4—C4—O4i −81.2 (15) C15A—C14A—C13A—C12A −6 (5)
O1—C1—C10—C11 9.0 (12) C15A—C14A—O18A—C18A 176 (2)
O1—C1—C2—C3 3.7 (13) C15A—O19A—C19A—O20A 10 (4)
O3—C3—C2—C1 3.5 (13) C15A—O19A—C19A—C20A −174 (6)
O3—C3—C30—C31 −0.1 (12) C14B—C13B—C12B—C11 179 (3)
C1—C10—C11—C12A −177 (2) C14B—C13B—C12B—C17B −3 (7)
C1—C10—C11—C12B 173 (3) C14B—C15B—C16B—C17B −5 (4)
C10—C1—C2—C3 −175.3 (7) C14B—C15B—O19B—C19B 90 (3)
C10—C11—C12A—C17A 9 (6) C13A—C14A—C15A—O19A 178 (3)
C10—C11—C12A—C13A −176 (3) C13A—C14A—C15A—C16A 5 (4)
C10—C11—C12B—C13B −4 (6) C13A—C14A—O18A—C18A −13 (4)
C10—C11—C12B—C17B 178 (2) C12A—C17A—C16A—C15A −6 (5)
C31—C32—C33—C34 179.2 (8) O19A—C15A—C16A—C17A −173 (2)
C31—C32—C37—C36 −178.6 (8) C15B—C14B—O18B—C18B −179 (2)
C2—C1—C10—C11 −171.9 (8) C15B—C16B—C17B—C12B 3 (5)
C2—C3—C30—C31 −178.1 (8) C15B—O19B—C19B—O20B 3 (5)
C32—C31—C30—C3 −177.6 (7) C15B—O19B—C19B—C20B −172 (9)
C32—C33—C34—O38 −179.7 (8) C16B—C15B—O19B—C19B −98 (3)
C32—C33—C34—C35 −0.1 (14) O19B—C15B—C16B—C17B −177 (3)
C32—C37—C36—C35 −0.9 (15) O18A—C14A—C15A—O19A −10 (3)
C30—C3—C2—C1 −178.6 (8) O18A—C14A—C15A—C16A 177 (2)
C30—C31—C32—C33 −174.3 (8) O18A—C14A—C13A—C12A −177 (3)
C30—C31—C32—C37 6.0 (14) O18B—C14B—C15B—C16B −176 (2)
C33—C32—C37—C36 1.7 (13) O18B—C14B—C15B—O19B −5 (3)
C11—C12B—C17B—C16B 179 (3) C12B—C13B—C14B—C15B 1 (4)
C37—C32—C33—C34 −1.2 (13) C12B—C13B—C14B—O18B −180 (3)
C35—O39B—C39B—O40B 12 (7) C16A—C15A—O19A—C19A −113 (3)
C35—O39B—C39B—C40B −166 (4) C16A—C17A—C12A—C11 −179 (3)
C35—O39A—C39A—C40A −175 (2) C16A—C17A—C12A—C13A 5 (5)
C35—O39A—C39A—O40A 8 (5) O39B—C35—C36—C37 174.6 (19)
C36—C35—C34—O38 −179.5 (9) O39B—C35—C34—O38 6 (3)
C36—C35—C34—C33 0.9 (15) O39B—C35—C34—C33 −173 (2)
C36—C35—O39B—C39B −98 (4) C53—C54—C55—C56 −11 (2)
C36—C35—O39A—C39A −103 (3) C54—C53—C52—C51 −15 (5)
C34—C35—C36—C37 −0.4 (16) C54—C55—C56—C51 −4 (2)
C34—C35—O39B—C39B 76 (5) C55—C56—C51—C52 8 (5)
C34—C35—O39A—C39A 88 (3) C55—C56—C51—C50 −180 (4)
C38—O38—C34—C33 −6.9 (14) C56—C51—C52—C53 1 (5)
C38—O38—C34—C35 173.5 (9) C52—C53—C54—C55 20 (4)
C13B—C14B—C15B—C16B 3 (3) O39A—C35—C36—C37 −168.9 (14)
C13B—C14B—C15B—O19B 175 (2) O39A—C35—C34—O38 −9.5 (16)
C13B—C14B—O18B—C18B 1 (3) O39A—C35—C34—C33 170.8 (12)
C13B—C12B—C17B—C16B 1 (7) C50—C51—C52—C53 −171 (4)
Open in a new tab

Symmetry code: (i) −x+1, y, −z+1/2.

Bis[(1E,6E)-1,7-bis(4-acetyloxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dionato(1-)-κ2O,O'](methanol)dioxidouranium(VI) toluene monosolvate . Hydrogen-bond geometry (Å, º)

D—H···A D—H H···A D···A D—H···A
O4—H4···O40Aii 0.84 2.33 2.99 (2) 136
O4—H4···O40Bii 0.84 2.67 3.23 (4) 125
C40A—H40D···O20Biii 0.98 2.46 3.25 (4) 137
C30—H30···O2iii 0.95 2.58 3.436 (9) 150
Open in a new tab

Symmetry codes: (ii) x+1/2, −y+3/2, z−1/2; (iii) x, −y+1, z+1/2.

Funding Statement

Funding for this research was provided by: Vietnam National University, Hanoi (grant No. QG.23.76 to Van Ha Nguyen).

References

  1. Ainscough, E. W., Brodie, A. M., Cresswell, R. J. & Waters, J. M. (1998). Inorg. Chim. Acta277, 37–45.
  2. Al-Anber, M. A., Daoud, H. M., Rüffer, T. & Lang, H. (2011). J. Mol. Struct.997, 1–6.
  3. Banerjee, S. & Chakravarty, A. R. (2015). Acc. Chem. Res.48, 2075–2083. [DOI] [PubMed]
  4. Bhagat, K. K., Cheke, R. S., Gavali, V. D., Kharkar, P. S. & Arote, N. D. (2025). Discov. Chem.2, 119.
  5. Bruker (2014). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
  6. Carter, K. P., Kerr, A. T., Taydakov, I. V. & Cahill, C. L. (2018). Solid State Sci.76, 20–32.
  7. Clark, C. B., Burnett, N. L., Ruhren, A. N., Talbott, E. D., Eyubova, E., Besson, C., Panetier, J. A. & Swierk, J. R. (2025). Dalton Trans.54, 12667–12677. [DOI] [PubMed]
  8. Dai, C., Lin, J., Li, H., Shen, Z., Wang, Y., Velkov, T. & Shen, J. (2022). Antioxidants11, 459. [DOI] [PMC free article] [PubMed]
  9. Dehzad, M. J., Ghalandari, H., Nouri, M. & Askarpour, M. (2023). Cytokine164, 156144. [DOI] [PubMed]
  10. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst.42, 339–341.
  11. Esatbeyoglu, T., Huebbe, P., Ernst, I. M. A., Chin, D., Wagner, A. E. & Rimbach, G. (2012). Angew. Chem. Int. Ed.51, 5308–5332. [DOI] [PubMed]
  12. Goel, A., Kunnumakkara, A. B. & Aggarwal, B. B. (2008). Biochem. Pharmacol.75, 787–809. [DOI] [PubMed]
  13. Groom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171–179. [DOI] [PMC free article] [PubMed]
  14. Hernandez, A., Chakraborty, I., Ortega, G. & Dares, C. J. (2022). Acta Cryst. E78, 40–43. [DOI] [PMC free article] [PubMed]
  15. Huuskonen, J., Raatikainen, K. & Rissanen, K. (2007). Acta Cryst. E63, m413–m414.
  16. Jabborova, X., Tursinboyeva, X., Ruzieva, B., Turgunov, K., Ashurov, J., Tojiboev, A. & Daminova, S. (2024). Acta Cryst. E80, 1250–1254. [DOI] [PMC free article] [PubMed]
  17. Kawasaki, T. & Kitazawa, T. (2015). Acta Cryst. E71, 42–44. [DOI] [PMC free article] [PubMed]
  18. Krause, L., Herbst-Irmer, R., Sheldrick, G. M. & Stalke, D. (2015). J. Appl. Cryst.48, 3–10. [DOI] [PMC free article] [PubMed]
  19. Kurzajewska, M., Kwiatek, D., Kubicki, M., Brzezinski, B. & Hnatejko, Z. (2018). Polyhedron148, 1–8.
  20. Ma, Z., Sutradhar, M., Gurbanov, A. V., Maharramov, A. M., Aliyeva, R. A., Aliyeva, F. S., Bahmanova, F. N., Mardanova, V. I., Chyragov, F. M. & Mahmudov, K. T. (2015). Polyhedron101, 14–22.
  21. Menon, V. P. & Sudheer, A. R. (2007). The Molecular Targets and Therapeutic Uses of Curcumin in Health and Disease edited by B. B. Aggarwal, Y.-J. Surh & S. Shishodia, pp. 105–125. Boston: Springer US.
  22. Meza-Morales, W., Alvarez-Ricardo, Y., Obregón-Mendoza, M. A., Arenaza-Corona, A., Ramírez-Apan, M. T., Toscano, R. A., Poveda-Jaramillo, J. C. & Enríquez, R. G. (2023b). RSC Adv.13, 8577–8585. [DOI] [PMC free article] [PubMed]
  23. Meza-Morales, W., Alvarez-Ricardo, Y., Pérez-González, L. L., Tavera-Hernández, R., Ramírez-Apan, M. T., Toscano, R. A., Sánchez-Obregón, R., Obregón-Mendoza, M. A. & Enríquez, R. G. (2023a). Int. J. Mol. Sci.24, 16324. [DOI] [PMC free article] [PubMed]
  24. Meza-Morales, W., Estévez-Carmona, M. M., Alvarez-Ricardo, Y., Obregón-Mendoza, M. A., Cassani, J., Ramírez-Apan, M. T., Escobedo-Martínez, C., Soriano-García, M., Reynolds, W. F. & Enríquez, R. G. (2019). Molecules24, 1598. [DOI] [PMC free article] [PubMed]
  25. Monzón González, C. R., Sánchez Vergara, M. E., Elías-Espinosa, M. C., Rodríguez-Valencia, S. A., López-Mayorga, B. J., Castillo-Arroyave, J. L., Toscano, R. A., Flores, O. L. & Álvarez Toledano, C. (2024). ChemistryOpen13, e202300219. [DOI] [PMC free article] [PubMed]
  26. Pham, C. T., Pham, T. T., Nguyen, H. H. & Trieu, T. N. (2020). Z. Anorg. Allg. Chem.646, 495–499.
  27. Prasad, S., DuBourdieu, D., Srivastava, A., Kumar, P. & Lall, R. (2021). Int. J. Mol. Sci.22, 7094. [DOI] [PMC free article] [PubMed]
  28. Salem, M., Rohani, S. & Gillies, E. R. (2014). RSC Adv.4, 10815–10829.
  29. Sheldrick, G. M. (2015a). Acta Cryst. A71, 3–8.
  30. Sheldrick, G. M. (2015b). Acta Cryst. C71, 3–8.
  31. Tafeenko, V. A., Chernyshev, V. V., Kochetov, A. N., Sergeenkova, A. A., Nosikova, L. A., Kudryashova, Z. A. & Tsivadze, A. Yu. (2025). CSD Communication (refcodes IMICEQ and IMICIU). CCDC, Cambridge, England.
  32. Vats, B. G., Kannan, S., Parvathi, K., Maity, D. K. & Drew, M. G. B. (2015). Polyhedron89, 116–121.
  33. Wang, J., Wei, D., Jiang, B., Liu, T., Ni, J. & Zhou, S. (2014). Transition Met. Chem.39, 553–558.
  34. Wanninger, S., Lorenz, V., Subhan, A. & Edelmann, F. T. (2015). Chem. Soc. Rev.44, 4986–5002. [DOI] [PubMed]

Associated Data

This section collects any data citations, data availability statements, or supplementary materials included in this article.

Supplementary Materials

Crystal structure: contains datablock(s) I. DOI: 10.1107/S2056989026002525/ej2019sup1.cif

e-82-00422-sup1.cif (1MB, cif)

CCDC reference: 2536300

Additional supporting information: crystallographic information; 3D view; checkCIF report

Articles from Acta Crystallographica Section E: Crystallographic Communications are provided here courtesy of International Union of Crystallography

RESOURCES