catena-Poly[[bis­(1-methyl­imidazole-κN 3)zinc(II)]-μ-isophthalato-κ2 O 1:O 3]

Juan Zhao

doi:10.1107/S160053680803078X

. 2008 Sep 27;64(Pt 10):m1335. doi: 10.1107/S160053680803078X

catena-Poly[[bis(1-methylimidazole-κN ³)zinc(II)]-μ-isophthalato-κ² O ¹:O ³]

Juan Zhao ^a,^*

PMCID: PMC2959463 PMID: 21201068

Abstract

In the solid state, the title compound, [Zn(C₈H₄O₄)(C₄H₆N₂)₂]_n, exhibits the existence of polymeric zigzag chains extending along the a axis. Each Zn^II ion is coordinated by two N atoms [Zn—N = 1.996 (6) and 2.032 (5) Å] and two O atoms [Zn—O = 1.930 (4) and 1.976 (4) Å] in a distorted tetrahedral geometry. Weak C—H⋯O interactions contribute to the crystal packing stability.

Related literature

In the related zinc compound [Zn(isophthalato)(1-H-imidazole)₂] (Yang et al., 2002 ▶), the Zn^II ions also have a distorted tetrahedral environment.

Experimental

Crystal data

[Zn(C₈H₄O₄)(C₄H₆N₂)₂]
M _r = 393.72
Orthorhombic,
a = 9.6820 (19) Å
b = 13.224 (3) Å
c = 26.983 (5) Å
V = 3454.8 (12) Å³
Z = 8
Mo Kα radiation
μ = 1.45 mm⁻¹
T = 293 (2) K
0.20 × 0.10 × 0.10 mm

Data collection

Enraf–Nonius CAD-4 diffractometer
Absorption correction: none
3091 measured reflections
2967 independent reflections
2041 reflections with I > 2σ(I)
R _int = 0.035
3 standard reflections every 100 reflections intensity decay: none

Refinement

R[F ² > 2σ(F ²)] = 0.068
wR(F ²) = 0.207
S = 1.05
2967 reflections
220 parameters
40 restraints
H-atom parameters constrained
Δρ_max = 0.50 e Å⁻³
Δρ_min = −0.61 e Å⁻³

Data collection: CAD-4 Software (Enraf–Nonius, 1989 ▶); cell refinement: CAD-4 Software; data reduction: NRCVAX (Gabe et al., 1989 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL/PC (Sheldrick, 2008 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053680803078X/cv2451sup1.cif

e-64-m1335-sup1.cif^{(19.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S160053680803078X/cv2451Isup2.hkl

e-64-m1335-Isup2.hkl^{(151.8KB, 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⋯O3ⁱ	0.96	2.55	3.423 (10)	150
C4—H4B⋯O3ⁱ	0.93	2.31	3.150 (9)	150
C11—H11A⋯O2ⁱⁱ	0.93	2.54	3.457 (8)	171

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

Acknowledgments

This work was supported by the National Natural Science Foundation of China (grant No. 20601015) and the Natural Science Foundation of Shandong Province (grant No. Y2006B12).

supplementary crystallographic information

Comment

In the title compound, (I) (Fig. 1), the zinc(II) centers are bridged by carboxylate groups of isophthalate ligands. Each Zn^II ion is coordinated by two N [Zn—N2 = 1.996 (6) Å, Zn—N4 = 2.032 (5) Å] and two O [Zn—O1 = 1.930 (4) Å, Zn—O4 = 1.976 (4) Å] atoms in a distorted tetrahedral geometry. All these values agree well with those observed in [Zn(isophthalato)(1-H-imidazole)₂] (Yang et al., 2002). Each isophthalate dianion in (I) acts as a bidentate ligand to bridge two Zn^II atoms through two monodentate carboxylate groups, building a zigzag polymeric chain along the a axis. The metal–metal distance across each polymer backbone is 9.682 (7) Å.

In the crystal, weak C—H···O interactions contribute to the crystal packing stability. In the corresponding zinc compound [Zn(isophthalato)(1-H-imidazole)₂] (Yang et al., 2002), the Zn^II ions have a distorted tetrahedral environment.

Experimental

The reaction of ZnCl₂(0.68 g, 5 mmol) with isophthalic acid (0.83 g, 5 mmol) in an aqueous-alcohol (3:1) solution (40 ml) at 363 K for 30 minutes produced a blue solution, to which 1-methylimidazole (0.82 g, 10 mmol) was added. The reaction solution was kept at room temperature after stirring for an hour at 333 K. Colourless crystals were obtained after a few days.