catena-Poly[[(2,2′-bipyridine)­manganese(II)]-μ3-4,4′-sulfonyl­dibenzoato]

Shi-Wei Yan; Guang-Ju Zhang; Hai-Yan Chen; Suo-Cheng Chang; Fu-Tian Zhang

doi:10.1107/S160053681101631X

. 2011 May 7;67(Pt 6):m712. doi: 10.1107/S160053681101631X

catena-Poly[[(2,2′-bipyridine)manganese(II)]-μ₃-4,4′-sulfonyldibenzoato]

Shi-Wei Yan ^a,^*, Guang-Ju Zhang ^a, Hai-Yan Chen ^a, Suo-Cheng Chang ^a, Fu-Tian Zhang ^a

PMCID: PMC3120441 PMID: 21754612

Abstract

In the title compound, [Mn(C₁₄H₈O₆S)(C₁₀H₈N₂)]_n, the Mn^II ion is coordinated by four O atoms from three 4,4′-sulfonyldibenzoate (sdba) ligands and two N atoms from one 2,2′-bipyridine (2,2′-bipy) ligand in a distorted octahedral geometry. The manganese atoms are alternately bridged either by two sdba ligands, with an Mn⋯Mn separation of 12.284 (1) Å, or by two carboxylate groups from two sdba ligands, with an Mn⋯Mn separation of 4.064 (1) Å, thus producing polymeric chains propagated in [101]. Weak intermolecular C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distance of 3.730 (3) Å between the aromatic rings of neighbouring polymeric chains] further stabilize the crystal packing.

Related literature

For the crystal structures of related Mn^II complexes with sdba ligands, see: Li et al. (2010 ▶); Xiao et al. (2008 ▶).

Experimental

Crystal data

[Mn(C₁₄H₈O₆S)(C₁₀H₈N₂)]
M _r = 515.39
Monoclinic,
a = 12.302 (3) Å
b = 15.386 (3) Å
c = 12.255 (3) Å
β = 111.06 (3)°
V = 2164.7 (10) Å³
Z = 4
Mo Kα radiation
μ = 0.75 mm⁻¹
T = 293 K
0.52 × 0.47 × 0.23 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.696, T _max = 0.846
17821 measured reflections
4193 independent reflections
3209 reflections with I > 2σ(I)
R _int = 0.071

Refinement

R[F ² > 2σ(F ²)] = 0.048
wR(F ²) = 0.130
S = 1.06
4193 reflections
307 parameters
H-atom parameters constrained
Δρ_max = 0.36 e Å⁻³
Δρ_min = −0.45 e Å⁻³

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL-Plus (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681101631X/cv5080sup1.cif

e-67-0m712-sup1.cif^{(25.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S160053681101631X/cv5080Isup2.hkl

e-67-0m712-Isup2.hkl^{(205.5KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

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

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1A⋯O5ⁱ	0.93	2.44	3.123 (4)	131
C16—H16A⋯O6ⁱⁱ	0.93	2.59	3.424 (4)	149
C19—H19A⋯O2ⁱⁱⁱ	0.93	2.54	3.210 (4)	129
C21—H21A⋯O5^iv	0.93	2.51	3.337 (4)	148

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

Acknowledgments

This work was supported by the Science and Technology Foundation of Southwest University (grant No. SWUB2007035).

supplementary crystallographic information

Comment

4,4'-Sulfonyldibenzoic acid (H₂sdba) is a typical V-shaped dicarboxylate ligand, which is important in construction of some novel frameworks with Mn salts (Li et al., 2010; Xiao et al., 2008). Here we report the crystal structure of the title compound, [Mn(sdba)(2,2'-bipy)]_n (I).

As shown in Figure 1, the crystallographically independent Mn^II atom exhibits a distorted octahedral geometry, being coordinated with two nitrogen atoms from one 2,2'-bipy ligand (Mn1—N1=2.230 (2) Å, Mn1—N1=2.315 (3) Å) and four oxygen atoms of three sdba ligands (Mn1—O1=2.159 (2) Å, Mn1—O2=2.445 (2) Å, Mn1—O3^í=2.119 (2) Å, Mn—O4^íí=2.125 (3) Å). The sdba ligand acts as a tetradentate ligand, as one carboxylate group adopts a bidentate bridging mode connecting two Mn^II ions, while the other carboxylate group adopts a bidentate chelating coordination mode connecting one Mn^II ion. Two Mn^II centers are bridged by two carboxylate groups of different sdba ligands to yield a dinuclear manganese core with Mn···Mn of 4.064 (1) Å. Then the dinuclear manganese units are extended by sdba ligands to generate a one-dimensional double-chain along c axis (Figure 2), and the 2,2'-bipy ligands are chelated on both sides of the double-chain. The one-dimensional double-chains are further linked by weak π—π stacking with the distance of 3.730 (3)Å between the centroids of aromatic rings from the neighbouring polymeric chains and intermolecular C—H···O hydrogen-bonding interactions (Table 1) to form a three-dimensional supramolecular network.

Experimental

A mixture of Mn(CH₃COO)₂.4H₂O (0.184 g, 0.75 mmol), H₂sdba (0.153 g, 0.50 mmol), 2,2'-bipy (0.078 g, 0.5 mmol) and water (10 ml) was stirred about 15 min in air, then transferred and sealed in an 18 ml Teflon-lined autoclave, which was heated at 160 °C for 60 h. After slow cooling to the room temperature, paleyellow block crystals of I were filtered off, washed with distilled water, and dried at ambient temperature.