Poly[[μ-1,4-bis­(1H-imidazol-4-yl)benzene-κ2N3:N3′](μ-5-methyl­isophthalato-κ2O1:O3)cobalt(II)]

Chen, S.-S.; Yang, S.-L.; Zhang, S.-P.

doi:10.1107/S1600536811025657

Volume 67
Part 8
Pages m1031-m1032
August 2011

Received 10 May 2011
Accepted 29 June 2011
Online 6 July 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
R = 0.031
wR = 0.100
Data-to-parameter ratio = 15.5
Details

Poly[[-1,4-bis(1H-imidazol-4-yl)benzene-²N³:N^3'](-5-methylisophthalato-²O¹:O³)cobalt(II)]

Shui-Sheng Chen,^a ^* Sen-Lin Yang ^a and Shu-Ping Zhang ^a

^aDepartment of Chemistry, Fuyang Normal College, Fuyang, Anhui 236041, People's Republic of China
Correspondence e-mail: sscfync@163.com

In the title coordination polymer, [Co(C₉H₆O₄)(C₁₂H₁₀N₄)]_n, the Co^II atom is four-coordinated by two O atoms from two different 5-methylisophthalate bivalent anions and two N atoms from two different 1,4-bis(1H-imidazol-4-yl)benzene ligands, forming a four-coordinated tetrahedral coordination geometry. Each 5-methylisophthalate ligand acts as a [mu] ₂-bridge, linking two Co^II atoms and forming chains which are further linked by 1,4-bis(1H-imidazol-4-yl)benzene ligands into a two-dimensional network parallel to ( $[\overline{2}]$ 01). These planes are, in turn, linked by two intermolecular N-HO interactions, forming a three-dimensional structure. Weak C-HO hydrogen bonds are also present in the structure.

Related literature

For background to mixed inorganic-organic hybrid materials, see: Kitagawa & Kondo (1998). For examples with mixed organic and N-containing ligands, see: Liu et al. (2007); Chen et al. (2010).

Experimental

Crystal data

[Co(C₉H₆O₄)(C₁₂H₁₀N₄)]
M_r = 447.31
Monoclinic, P 2₁ /c
a = 7.4608 (5) Å
b = 13.8212 (10) Å
c = 17.8629 (13) Å
= 90.451 (1)°
V = 1841.9 (2) Å³
Z = 4
Mo K radiation
= 0.97 mm^-1
T = 296 K
0.22 × 0.18 × 0.13 mm

Data collection

Bruker SMART APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.815, T_max = 0.884
16427 measured reflections
4210 independent reflections
3540 reflections with I > 2(I)
R_int = 0.032

Refinement

R[F² > 2(F²)] = 0.031
wR(F²) = 0.100
S = 1.12
4210 reflections
272 parameters
H-atom parameters constrained
_max = 0.45 e Å^-3
_min = -0.34 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2AO3ⁱ	0.86	2.16	2.825 (3)	134
N3-H3O2ⁱⁱ	0.86	1.96	2.803 (2)	165
C9-H9O2	0.93	2.39	3.274 (3)	158
C11-H11O3ⁱⁱⁱ	0.93	2.56	3.182 (3)	124
Symmetry codes: (i) $[-x, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) $[x+1, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) $[x+1, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; 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: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2404 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Anhui Provincial Education Commission (Nos. KJ2011B128 and KJ2009A047Z).

References

Bruker (2003). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, S. S., Fan, J., Okamura, T.-A. & Chen, M. S. (2010). Cryst. Growth Des. 10, 812-822.
Kitagawa, S. & Kondo, M. (1998). Bull. Chem. Soc. Jpn, 71, 1739-1753.
Liu, Y. Y., Ma, J. F., Yang, J. & Su, Z. M. (2007). Inorg. Chem. 46, 3027-3037.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Poly[[-1,4-bis(1H-imidazol-4-yl)benzene-2N3:N3'](-5-methylisophthalato-2O1:O3)cobalt(II)]