catena-Poly[[bis­(1H-imidazole-κN3)copper(II)]-μ-benzene-1,4-dicarboxyl­ato-κ2O1:O4]

Xu, Q.

doi:10.1107/S1600536811024822

Volume 67
Part 8
Page m1014
August 2011

Received 23 June 2011
Accepted 24 June 2011
Online 2 July 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.033
wR = 0.085
Data-to-parameter ratio = 14.9
Details

catena-Poly[[bis(1H-imidazole-N³)copper(II)]--benzene-1,4-dicarboxylato-²O¹:O⁴]

Qian Xu ^a ^*

^aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 211189, People's Republic of China
Correspondence e-mail: xqchem@yahoo.com.cn

In the title compound, [Cu(C₈H₄O₄)(C₃H₄N₂)₂]_n, the Cu^II atom is four-coordinated by two carboxylate O atoms from two different terephthalate ligands and two N atoms from two imidazole ligands in a slightly distorted square-planar coordination environment. Each terephthalate ligand acts as a bis-monodentate ligand that binds two Cu^II atoms, thus forming two unique chains extending parallel to [110]. The imidazole ligands are attached on both sides of the chains.

Related literature

For general background to ferroelectric metal-organic compounds with framework structures, see: Fu et al. (2009); Ye et al. (2006); Zhang et al. (2008, 2010).

Experimental

Crystal data

[Cu(C₈H₄O₄)(C₃H₄N₂)₂]
M_r = 363.82
Monoclinic, C 2/c
a = 21.435 (4) Å
b = 5.2740 (11) Å
c = 14.164 (3) Å
= 116.65 (3)°
V = 1431.1 (5) Å³
Z = 4
Mo K radiation
= 1.55 mm^-1
T = 293 K
0.30 × 0.25 × 0.20 mm

Data collection

Rigaku SCXmini diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005) T_min = 0.634, T_max = 0.733
6976 measured reflections
1641 independent reflections
1440 reflections with I > 2(I)
R_int = 0.048

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.085
S = 1.08
1641 reflections
110 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.26 e Å^-3
_min = -0.32 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2AO1ⁱ	0.78 (4)	2.11 (4)	2.851 (3)	157 (4)
Symmetry code: (i) $[x, -y+1, z-{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JH2303 ).

Acknowledgements

This work was supported by a start-up grant from Southeast University.

References

Fu, D.-W., Ge, J.-Z., Dai, J., Ye, H.-Y. & Qu, Z.-R. (2009). Inorg. Chem. Commun. 12, 994-997.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Ye, Q., Song, Y.-M., Wang, G.-X., Chen, K. & Fu, D.-W. (2006). J. Am. Chem. Soc. 128, 6554-6555.
Zhang, W., Xiong, R.-G. & Huang, S.-P. D. (2008). J. Am. Chem. Soc. 130, 10468-10469.
Zhang, W., Ye, H.-Y., Cai, H.-L., Ge, J.-Z. & Xiong, R.-G. (2010). J. Am. Chem. Soc. 132, 7300-7302.

metal-organic compounds

catena-Poly[[bis(1H-imidazole-N3)copper(II)]--benzene-1,4-dicarboxylato-2O1:O4]