In the title compound, the cadmium cations are octahedrally coordinated by four bromide anions and two 2–5-dimethylpyrazine ligands and linked into chains via pairs of μ-1,1-bridging Br− anions that are further connected into layers by the bridging 2,5-dimethylpyrazine coligands.
Keywords: synthesis; thermal properties; cadmium bromide; coordination polymer; 2,5-dimethylpyrazine; crystal structure
Abstract
The title compound, [CdBr2(C6H8N2)]n, was prepared by the reaction of cadmium bromide with 2,5-dimethylpyrazine in water. Its asymmetric unit consists of one Cd cation and one 2,5-dimethylpyrazine ligand that are located on a crystallographic mirror plane as well as one bromide anion that occupies a general position. The Cd cations are sixfold coordinated by four bromide anions and two 2,5-dimethylpyrazine ligands within slightly distorted trans-CdBr4N2 octahedra. The cations are linked into [100] chains via pairs of bridging bromide anions that are further connected into (001) layers by the bridging 2,5-dimethylpyrazine ligands. Powder X-ray diffraction (PXRD) shows that a pure crystalline phase has been obtained. Thermogravimetry coupled to differential thermoanalysis (TG-TDA) reveal that the 2,5-dimethylpyrazine ligands are removed in two separate steps leading to the formation of a compound with the composition (CdBr2)2(2,5-dimethylpyrazine) that decomposes into CdBr2 upon further heating. PXRD measurements of the residue obtained after the first mass loss show that a new crystalline phase has been formed.
1. Chemical context
For several years, we and others have been interested in the synthesis and crystal structures of coordination compounds based on transition metal halides and neutral organic coligands. In the beginning, we focused on compounds based on CuI, because they show an extremely versatile structural behavior (Kromp & Sheldrick, 1999 ▸; Peng et al., 2010 ▸; Näther & Jess, 2002 ▸, 2004 ▸; Li et al., 2005 ▸). Such compounds usually consist of CuX subunits that can comprise monomeric and dimeric units but also different kinds of chains that are further linked into more condensed networks when bridging coligands are used in the synthesis. In the course of our systematic work we found that upon heating, such compounds frequently lose their coligands in a stepwise manner, which leads to the formation of new copper halide compounds as intermediates that consist of condensed CuX networks (Näther et al., 2001 ▸, 2002 ▸). More recently, we have shown that this synthetic route can also be expanded to coordination compounds with, e.g. ZnX2 and CdX2 (X = Cl, Br, I), even if they, with few exceptions (Näther et al., 2007 ▸), do not show the same structural variability as the Cu compounds.
In the course of our project we especially used bridging coligands such as pyrazine derivatives to prepare compounds with more condensed networks. Some compounds with CdX2 (X = Cl, Br, I) and pyrazine (C4H4N2) have already been reported, including CdX2(pyrazine) [X = Cl, Br, I, Cambridge Structural Database refcodes TISSUJ (Pickardt & Staub, 1996 ▸), RINSIQ and RINSOW (Bailey & Pennington, 1997 ▸); RINSOW01 and RINSIQ01 (Pickardt & Staub, 1997 ▸)], in which the Cd cations are linked by pairs of bridging halide anions into chains, which are further connected into layers by the pyrazine coligands. In this context we have reported on CdX2 compounds with 2-chloro and 2-methylpyrazine, for which a different thermal reactivity was observed (Näther et al., 2017 ▸). In the coligand-rich compounds CdX2(L)2 (X = Cl, Br, I, L = 2-chloro and methylpyrazine: QAWHOO, QAWGON, QAWGUT, QAWHAA, QAWHEE and QAWHII; Näther et al., 2017 ▸), the Cd cations are octahedrally coordinated and linked into chains by pairs of bridging halide anions. If the 2-methylpyrazine compounds are heated, a transformation into 2-methylpyrazine-deficient compounds with the composition CdX2(2-methylpyrazine) (X = Cl, Br, I) is observed, in which the CdX2 chains are further linked into layers as with the pyrazine compounds mentioned above. In contrast, for the 2-chloropyrazine compounds, no 2-chloropyrazine-deficient compounds can be obtained and they can also not be prepared from solution (Näther et al., 2017 ▸).
In a continuation of this work we became interested in compounds with 2,5-dimethylpyrazine (C6H8N2) in which the coordination to each of the N atoms is sterically hindered because of the bulky methyl groups. A compound with the composition CdI2(2,5-dimethylpyrazine) is already reported in the CSD (EHEQUG; Rogers, 2020 ▸). Surprisingly, the structure of this compound is completely different from that of the 2-methyl and 2-chloropyrazine compounds mentioned above. In EHEQUG, the Cd cations are tetrahedrally coordinated by two iodide anions and two 2,5-dimethylpyrazine coligands and linked into chains by the coligands. Compounds with CdCl2 or CdBr2 and 2,5-dimethylpyrazine have not been reported. In the course of our investigations, we obtained crystals of the title compound, (I), by the reaction of CdBr2 and 2,5-dimethylpyrazine, which were characterized by single crystal X-ray diffraction.
2. Structural commentary
The asymmetric unit of (I) consists of one Cd cation and one 2,5-dimethylpyrazine ligand that are located on a crystallographic mirror plane as well as one bromide anion that occupies a general position (Fig. 1 ▸). The Cd cations are octahedrally coordinated by four bromide anions that are located in the basal plane and two N-bonded 2,5-dimethylpyrazine ligands in the axial positions. The N—Cd—N and N—Cd—Br angles are close to the ideal values,whereas the Br—Cd—Br angles are significantly different from 90°, which shows that the octahedra are significantly distorted (Table 1 ▸). The cadmium cations are linked into chains via pairs of μ-1,1-bridging bromide anions that propagate in the crystallographic a-axis direction, which means that neighboring octahedra share common edges (Fig. 2 ▸). These chains are further linked into layers lying parallel to (001) by the bridging 2,5-dimethylpyrazine ligands (Fig. 3 ▸). It is noted that this topology is well known from CdX2 compounds with pyrazine derivatives such as CdX2(pyrazine) (X = Cl, Br, I) (Bailey & Pennington, 1997 ▸; Pickardt & Staub, 1997 ▸). It is also noted that the crystal structure of the title compound is completely different from the iodide analogue CdI2(2,5-dimethylpyrazine) already reported in the literature (EHEQUG; Rogers, 2020 ▸).
Figure 1.
The crystal structure of (I) with labeling and displacement ellipsoids drawn at the 50% probability level. Symmetry codes for the generation of equivalent atoms: (i) −x + 1, y, z; (ii) x, y +
, −z +
; (iii) −x +
, y, −z +
; (iv) x −
, y, −z +
; (v) x +
, y, −z +
.
Table 1. Selected geometric parameters (Å, °).
| Cd1—Br1 | 2.6869 (4) | Cd1—N1 | 2.482 (5) |
| Cd1—Br1i | 2.7893 (4) | Cd1—N2ii | 2.494 (5) |
| Br1—Cd1—Br1iii | 106.18 (2) | N1—Cd1—Br1 | 91.20 (6) |
| Br1—Cd1—Br1iv | 86.222 (11) | N1—Cd1—N2ii | 178.93 (15) |
| Br1i—Cd1—Br1iv | 81.37 (2) | N2ii—Cd1—Br1iii | 89.45 (6) |
| Br1iii—Cd1—Br1iv | 167.574 (18) | N2ii—Cd1—Br1iv | 89.94 (8) |
| N1—Cd1—Br1iv | 89.25 (8) | Cd1—Br1—Cd1v | 93.774 (11) |
Symmetry codes: (i)
; (ii)
; (iii)
; (iv)
; (v)
.
Figure 2.
Crystal structure of (I) with view of part of one [100] chain.
Figure 3.
Crystal structure of (I) with view along the crystallographic c-axis direction.
3. Supramolecular features
The layers in (I) are stacked in the crystallographic c-axis direction such that the methyl groups of neighboring layers point towards each along the a-axis direction or that they are shifted relative to each other along the b-axis direction so that the methyl groups are opposite to the bromide anions (Fig. 4 ▸). In the crystal structure of (I) a number of intermolecular C—H⋯Br contacts are observed but for all of them the H⋯Br distances are very long and the C—H⋯Br angles are far from linear, indicating that these are only very weak interactions (Table 2 ▸).
Figure 4.
Crystal structure of (I) with view along the crystallographic a- (left) and b-axis (right) directions.
Table 2. Hydrogen-bond geometry (Å, °).
| D—H⋯A | D—H | H⋯A | D⋯A | D—H⋯A |
|---|---|---|---|---|
| C2—H2⋯Br1vi | 0.95 | 3.02 | 3.624 (5) | 123 |
| C2—H2⋯Br1vii | 0.95 | 3.02 | 3.624 (5) | 123 |
| C4—H4⋯Br1i | 0.95 | 3.04 | 3.622 (5) | 121 |
| C4—H4⋯Br1iv | 0.95 | 3.04 | 3.622 (5) | 121 |
| C5—H5B⋯Br1 | 0.98 | 2.83 | 3.658 (5) | 142 |
| C5—H5C⋯Br1iii | 0.98 | 2.83 | 3.658 (5) | 142 |
| C6—H6B⋯Br1viii | 0.98 | 2.86 | 3.674 (5) | 141 |
| C6—H6C⋯Br1ix | 0.98 | 2.86 | 3.674 (5) | 141 |
Symmetry codes: (i)
; (iii)
; (iv)
; (vi)
; (vii)
; (viii)
; (ix)
.
4. Database survey
As mentioned in the Chemical context section, only one cadmium halide compound with 2,5-dimethylpyrazine is reported as a private communication in the CCDC database [CSD Version 5.43, September 2024 (Groom et al., 2016 ▸), search with CONQUEST (Bruno et al., 2002 ▸)]. However, a number of compounds with other twofold positively charged transition-metal cations, halide anions and 2,5-dimethylpyrazine are known. This include the two isotypic compounds MBr2(2,5-dimethylpyrazine), in which the metal cations are square-planar coordinated by two bromide anions and two 2,5-dimethylpyrazine ligands and linked into chains by the neutral coligands [M = Ni (BRMPYN; Ayres et al., 1964 ▸) and M = Cu (DOVNUY; Butcher et al., 2009 ▸)]. The same structure is also observed in CuCl2(2,5-dimethylpyrazine) (RAZYEX; Awwadi et al., 2005 ▸), but this compound is not isotypic to the bromide compounds mentioned before.
Several compounds are reported with ZnII in which the ZnII cations are tetrahedrally coordinated, including ZnX2(2,5-dimethylpyrazine) in which the ZnII cations are linked into chains by the 2,5-dimethylpyrazine ligands (X = Cl, DOPYAJ, X = Br, DOPYIR, X = I, DOPZAK; Wriedt et al., 2009 ▸). In (ZnX2)2(2,5-dimethylpyrazine)3 dinuclear complexes are formed in which the 2,5-dimethylpyrazine acts as bridging and terminal ligands (X = Cl, DOPYEN, X = Br, DOPYOX; Wriedt et al., 2009 ▸). In ZnBr2(2,5-dimethylpyrazine)2-2,5-dimethylpyrazine solvate, discrete complexes are observed (DOPYUD; Wriedt et al., 2009 ▸). Discrete complexes are also observed in ZnI2(2,5-dimethylpyrazine)2 (DOPZEO; Wriedt et al., 2009 ▸). Additional compounds are reported with CuII cations, including CuBr2(2,5-dimethylpyrazine)(acetonitrile), in which the CuII cations are fivefold coordinated by two chloride anions, one acetonitrile ligand and two bridging 2,5-dimethylpyrazine ligands that link the cations into chains (MEVRAG; Näther & Greve, 2001 ▸).
Finally, two compounds with the composition (HgX2)2(2,5-dimethylpyrazine) (X = Cl, QUMVIE, X = Br, QUMTUO; Mahmoudi & Morsali, 2009 ▸) are also reported, and show a topology similar to that of the title compound.
5. Additional investigations
Comparison of the the experimental X-ray powder pattern of the sample with that calculated for the title compound from single-crystal data shows that a pure crystalline phase has been obtained (Fig. 5 ▸).
Figure 5.
Experimental (top) and calculated X-ray powder pattern (bottom) for (I).
Thermogravimetry and differential thermoanalysis (TG-DTA) measurements reveal that (I) decomposes in two steps that are accompanied with endothermic events in the DTA curve at peak temperatures of 207 and 276°C (Fig. 6 ▸). The experimental mass losses of the first and second thermogravimetric step of 13.9 and 14.1% are in good agreement with those calculated for the removal of a half 2,5-dimethylpyrazine ligand in each step (Δmcalc. = 14.2%). Therefore, one can assume that after the first mass loss a compound with the composition (CdBr2)2(2,5-dimethylpyrazine) is formed, which decomposes into CdBr2 upon further heating.
Figure 6.
DTG, TG and DTA curves for (I) measured with a heating rate of 4°C min−1. The mass loss is given in % and the peak temperature in °C.
To prove that a new crystalline phase had formed, the residue obtained after the first mass loss was investigated by powder X-ray diffraction, which shows that a compound with very good crystallinity was obtained with a powder pattern completely different from that of the title compound (Fig. 7 ▸). Unfortunately, indexing of this powder pattern failed, so that no structural information is available. However, it can be assumed that a more condensed CdBr2 network formed.
Figure 7.
Experimental X-ray powder pattern of the residue obtained after the first mass loss in a TG measurement for (I) (top) and calculated powder pattern for (I) (bottom).
6. Synthesis and crystallization
CdBr2 and 2,5-dimethylpyrazine were purchased from Sigma-Aldrich. 136.1 mg (0.5 mmol) of CdBr2 and 54.1 mg of (0.5 mmol) 2,5-dimethylpyrazine were reacted in 2 ml of water for 2 d at 353 K, which led to the formation of colorless crystals suitable for single crystal X-ray diffraction.
The PXRD measurements were performed with Cu Kα1 radiation (λ = 1.540598 Å) using a Stoe Transmission Powder Diffraction System (STADI P) equipped with a MYTHEN 1K detector and a Johansson-type Ge(111) monochromator. Thermogravimetry and differential thermoanalysis (TG-DTA) experiments were performed in a dynamic nitrogen atmosphere in Al2O3 crucibles with 8°C min−1 using a STA-PT 1000 thermobalance from Linseis. The TG-DTA instrument was calibrated using standard reference materials.
7. Refinement
Crystal data, data collection and structure refinement details are summarized in Table 3 ▸. The C—H hydrogen atoms were positioned with idealized geometry (methyl H atoms allowed to rotate but not to tip) and were refined isotropically with Uiso(H) = 1.2Ueq(C) (1.5 for methyl H atoms).
Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [CdBr2(C6H8N2)] |
| M r | 380.36 |
| Crystal system, space group | Orthorhombic, Cmce |
| Temperature (K) | 170 |
| a, b, c (Å) | 7.9334 (2), 15.4735 (6), 15.4898 (6) |
| V (Å3) | 1901.49 (11) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 10.64 |
| Crystal size (mm) | 0.14 × 0.11 × 0.07 |
| Data collection | |
| Diffractometer | Stoe IPDS2 |
| Absorption correction | Numerical |
| Tmin, Tmax | 0.193, 0.276 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 14714, 1238, 1082 |
| R int | 0.039 |
| (sin θ/λ)max (Å−1) | 0.661 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.033, 0.088, 1.13 |
| No. of reflections | 1238 |
| No. of parameters | 64 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 1.99, −0.84 |
Supplementary Material
Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S2056989024011824/hb8115sup1.cif
Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989024011824/hb8115Isup2.hkl
CCDC reference: 2407788
Additional supporting information: crystallographic information; 3D view; checkCIF report
Acknowledgments
Financial support by the State of Schleswig-Holstein is gratefully acknowledged.
supplementary crystallographic information
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Crystal data
| [CdBr2(C6H8N2)] | Dx = 2.657 Mg m−3 |
| Mr = 380.36 | Mo Kα radiation, λ = 0.71073 Å |
| Orthorhombic, Cmce | Cell parameters from 15283 reflections |
| a = 7.9334 (2) Å | θ = 5.3–57.8° |
| b = 15.4735 (6) Å | µ = 10.64 mm−1 |
| c = 15.4898 (6) Å | T = 170 K |
| V = 1901.49 (11) Å3 | Block, colorless |
| Z = 8 | 0.14 × 0.11 × 0.07 mm |
| F(000) = 1408 |
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Data collection
| Stoe IPDS-2 diffractometer | 1082 reflections with I > 2σ(I) |
| ω scans | Rint = 0.039 |
| Absorption correction: numerical | θmax = 28.0°, θmin = 2.6° |
| Tmin = 0.193, Tmax = 0.276 | h = −10→10 |
| 14714 measured reflections | k = −20→20 |
| 1238 independent reflections | l = −20→20 |
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Refinement
| Refinement on F2 | 0 restraints |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.033 | H-atom parameters constrained |
| wR(F2) = 0.088 | w = 1/[σ2(Fo2) + (0.0592P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.13 | (Δ/σ)max = 0.001 |
| 1238 reflections | Δρmax = 1.99 e Å−3 |
| 64 parameters | Δρmin = −0.84 e Å−3 |
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. 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. |
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Cd1 | 0.500000 | 0.60333 (2) | 0.76619 (2) | 0.02282 (15) | |
| Br1 | 0.77081 (5) | 0.60437 (3) | 0.87036 (2) | 0.02692 (15) | |
| N1 | 0.500000 | 0.4430 (3) | 0.7622 (3) | 0.0250 (9) | |
| C1 | 0.500000 | 0.3874 (3) | 0.8292 (4) | 0.0275 (11) | |
| C2 | 0.500000 | 0.2984 (4) | 0.8119 (4) | 0.0294 (12) | |
| H2 | 0.500000 | 0.259776 | 0.859575 | 0.035* | |
| N2 | 0.500000 | 0.2645 (3) | 0.7328 (3) | 0.0263 (10) | |
| C3 | 0.500000 | 0.3214 (4) | 0.6659 (3) | 0.0267 (11) | |
| C4 | 0.500000 | 0.4088 (4) | 0.6818 (4) | 0.0264 (11) | |
| H4 | 0.500000 | 0.447104 | 0.633895 | 0.032* | |
| C5 | 0.500000 | 0.4195 (4) | 0.9195 (3) | 0.0350 (14) | |
| H5A | 0.500000 | 0.370280 | 0.959327 | 0.052* | |
| H5B | 0.600860 | 0.454687 | 0.929396 | 0.052* | 0.5 |
| H5C | 0.399140 | 0.454687 | 0.929396 | 0.052* | 0.5 |
| C6 | 0.500000 | 0.2890 (4) | 0.5746 (4) | 0.0350 (14) | |
| H6A | 0.500000 | 0.338159 | 0.534803 | 0.052* | |
| H6B | 0.600860 | 0.253755 | 0.564744 | 0.052* | 0.5 |
| H6C | 0.399140 | 0.253755 | 0.564744 | 0.052* | 0.5 |
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Atomic displacement parameters (Å2)
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Cd1 | 0.0223 (2) | 0.0213 (2) | 0.0248 (2) | 0.000 | 0.000 | 0.00021 (14) |
| Br1 | 0.0231 (2) | 0.0340 (3) | 0.0237 (2) | −0.00048 (15) | 0.00010 (13) | −0.00062 (14) |
| N1 | 0.031 (2) | 0.022 (2) | 0.022 (2) | 0.000 | 0.000 | 0.0015 (16) |
| C1 | 0.031 (3) | 0.025 (3) | 0.026 (3) | 0.000 | 0.000 | 0.0040 (19) |
| C2 | 0.036 (3) | 0.026 (3) | 0.026 (2) | 0.000 | 0.000 | 0.003 (2) |
| N2 | 0.030 (2) | 0.021 (2) | 0.028 (2) | 0.000 | 0.000 | −0.0030 (17) |
| C3 | 0.029 (3) | 0.025 (3) | 0.026 (2) | 0.000 | 0.000 | 0.002 (2) |
| C4 | 0.028 (3) | 0.028 (3) | 0.023 (2) | 0.000 | 0.000 | 0.0009 (19) |
| C5 | 0.057 (4) | 0.026 (3) | 0.022 (2) | 0.000 | 0.000 | −0.001 (2) |
| C6 | 0.056 (4) | 0.023 (3) | 0.026 (2) | 0.000 | 0.000 | −0.004 (2) |
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Geometric parameters (Å, º)
| Cd1—Br1 | 2.6869 (4) | C2—N2 | 1.332 (7) |
| Cd1—Br1i | 2.7893 (4) | N2—C3 | 1.360 (7) |
| Cd1—Br1ii | 2.6869 (4) | C3—C4 | 1.374 (8) |
| Cd1—Br1iii | 2.7893 (4) | C3—C6 | 1.500 (7) |
| Cd1—N1 | 2.482 (5) | C4—H4 | 0.9500 |
| Cd1—N2iv | 2.494 (5) | C5—H5A | 0.9800 |
| N1—C1 | 1.347 (7) | C5—H5B | 0.9800 |
| N1—C4 | 1.353 (7) | C5—H5C | 0.9800 |
| C1—C2 | 1.404 (8) | C6—H6A | 0.9800 |
| C1—C5 | 1.484 (8) | C6—H6B | 0.9800 |
| C2—H2 | 0.9500 | C6—H6C | 0.9800 |
| Br1—Cd1—Br1ii | 106.18 (2) | N2—C2—C1 | 124.2 (5) |
| Br1—Cd1—Br1iii | 86.222 (11) | N2—C2—H2 | 117.9 |
| Br1ii—Cd1—Br1i | 86.222 (11) | C2—N2—Cd1vi | 112.8 (4) |
| Br1i—Cd1—Br1iii | 81.37 (2) | C2—N2—C3 | 116.5 (5) |
| Br1ii—Cd1—Br1iii | 167.574 (18) | C3—N2—Cd1vi | 130.7 (3) |
| Br1—Cd1—Br1i | 167.574 (18) | N2—C3—C4 | 120.0 (5) |
| N1—Cd1—Br1iii | 89.25 (8) | N2—C3—C6 | 120.1 (5) |
| N1—Cd1—Br1ii | 91.20 (6) | C4—C3—C6 | 119.9 (5) |
| N1—Cd1—Br1 | 91.20 (6) | N1—C4—C3 | 123.4 (5) |
| N1—Cd1—Br1i | 89.25 (8) | N1—C4—H4 | 118.3 |
| N1—Cd1—N2iv | 178.93 (15) | C3—C4—H4 | 118.3 |
| N2iv—Cd1—Br1ii | 89.45 (6) | C1—C5—H5A | 109.5 |
| N2iv—Cd1—Br1 | 89.45 (6) | C1—C5—H5B | 109.5 |
| N2iv—Cd1—Br1i | 89.94 (8) | C1—C5—H5C | 109.5 |
| N2iv—Cd1—Br1iii | 89.94 (8) | H5A—C5—H5B | 109.5 |
| Cd1—Br1—Cd1v | 93.774 (11) | H5A—C5—H5C | 109.5 |
| C1—N1—Cd1 | 128.2 (4) | H5B—C5—H5C | 109.5 |
| C1—N1—C4 | 117.3 (5) | C3—C6—H6A | 109.5 |
| C4—N1—Cd1 | 114.4 (4) | C3—C6—H6B | 109.5 |
| N1—C1—C2 | 118.6 (5) | C3—C6—H6C | 109.5 |
| N1—C1—C5 | 120.8 (5) | H6A—C6—H6B | 109.5 |
| C2—C1—C5 | 120.6 (5) | H6A—C6—H6C | 109.5 |
| C1—C2—H2 | 117.9 | H6B—C6—H6C | 109.5 |
| Cd1—N1—C1—C2 | 180.0 | C1—C2—N2—C3 | 0.0 |
| Cd1—N1—C1—C5 | 0.0 | C2—N2—C3—C4 | 0.0 |
| Cd1—N1—C4—C3 | 180.0 | C2—N2—C3—C6 | 180.0 |
| Cd1vi—N2—C3—C4 | 180.0 | N2—C3—C4—N1 | 0.0 |
| Cd1vi—N2—C3—C6 | 0.0 | C4—N1—C1—C2 | 0.0 |
| N1—C1—C2—N2 | 0.0 | C4—N1—C1—C5 | 180.0 |
| C1—N1—C4—C3 | 0.0 | C5—C1—C2—N2 | 180.0 |
| C1—C2—N2—Cd1vi | 180.0 | C6—C3—C4—N1 | 180.0 |
Symmetry codes: (i) x−1/2, y, −z+3/2; (ii) −x+1, y, z; (iii) −x+3/2, y, −z+3/2; (iv) x, y+1/2, −z+3/2; (v) x+1/2, y, −z+3/2; (vi) x, y−1/2, −z+3/2.
Poly[di-µ-bromido-(µ-2,5-dimethylpyrazine)cadmium(II)]. Hydrogen-bond geometry (Å, º)
| D—H···A | D—H | H···A | D···A | D—H···A |
| C2—H2···Br1vii | 0.95 | 3.02 | 3.624 (5) | 123 |
| C2—H2···Br1viii | 0.95 | 3.02 | 3.624 (5) | 123 |
| C4—H4···Br1i | 0.95 | 3.04 | 3.622 (5) | 121 |
| C4—H4···Br1iii | 0.95 | 3.04 | 3.622 (5) | 121 |
| C5—H5B···Br1 | 0.98 | 2.83 | 3.658 (5) | 142 |
| C5—H5C···Br1ii | 0.98 | 2.83 | 3.658 (5) | 142 |
| C6—H6B···Br1vi | 0.98 | 2.86 | 3.674 (5) | 141 |
| C6—H6C···Br1ix | 0.98 | 2.86 | 3.674 (5) | 141 |
Symmetry codes: (i) x−1/2, y, −z+3/2; (ii) −x+1, y, z; (iii) −x+3/2, y, −z+3/2; (vi) x, y−1/2, −z+3/2; (vii) x−1/2, y−1/2, z; (viii) −x+3/2, y−1/2, z; (ix) −x+1, y−1/2, −z+3/2.
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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, global. DOI: 10.1107/S2056989024011824/hb8115sup1.cif
Structure factors: contains datablock(s) I. DOI: 10.1107/S2056989024011824/hb8115Isup2.hkl
CCDC reference: 2407788
Additional supporting information: crystallographic information; 3D view; checkCIF report







