Diaqua­bis(2,2′-biimidazole)cobalt(II) 4,4′-dicarboxy­biphenyl-3,3′-di­car­boxylate

Kang, J.; Huang, C.-C.; Zhai, L.-S.; Qin, X.-H.; Liu, Z.-Q.

doi:10.1107/S1600536809007764

Volume 65
Part 4
Pages m380-m381
April 2009

Received 20 January 2009
Accepted 3 March 2009
Online 11 March 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R = 0.033
wR = 0.087
Data-to-parameter ratio = 11.5
Details

Diaquabis(2,2'-biimidazole)cobalt(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate

Jie Kang,^a,^b ^* Chang-Cang Huang,^b Lai-Sheng Zhai,^b Xiao-Huan Qin ^b and Zhong-Qian Liu ^b

^aCollege of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350004, People's Republic of China, and ^bState Key Laboratory Breeding Base of Photocatalysis, Fuzhou University, Fuzhou 350002, People's Republic of China
Correspondence e-mail: davidkj660825@163.com

In the title compound, [Co(C₆H₆N₄)₂(H₂O)₂](C₁₆H₈O₈), the Co^II cation and the organic anion occupy different crystallographic inversion centres and, as a consequence, the asymmetric unit comprises two half-molecules. The benzene groups are coplanar. The four coordinating N atoms of the two bidentate biimidazole ligands define the equatorial plane of a slightly distorted octahedral CoO₂N₄ geometry, and the water O atoms lie in the axial coordination sites. Translational (a, $[\overline b]$ ) and inversion-related symmetry operations link the Co complex molecules and the negatively charged carboxylate anions via intermolecular N-HO and O-HO hydrogen bonds into sheets parallel to ( $[\overline{1}]$ 01). The coordinated water molecules connect the sheets through O-HO hydrogen bonds, forming a three-dimensional framework. In addition, two intramolecular O-HO hydrogen bonds are observed between the carboxyl and carboxylate groups.

Related literature

For a review on organic-inorganic hybrid materials, see: Hagrman et al. (1999). For a tetranuclear cobalt complex with a 1,2,4-benzenetricarboxylate linker, see: Jia et al. (2007). For a highly porous metal-organic framework with a benzenedicarboxylate linker, see: Li et al. (1999). For coordination polymers of Ag(I), Cd(II) and Zn(II) with the flexible 2-(1H-imidazole-1-yl)acetic acid linker, see: Wang et al. (2007). For the structure of 1,1'-biphenyl-2,3,3',4'-tetracarboxylic acid monohydrate and related structures cited therein, see: Jiang et al. (2008).

Experimental

Crystal data

[Co(C₆H₆N₄)₂(H₂O)₂](C₁₆H₈O₈)
M_r = 691.48
Triclinic, $[P \overline 1]$
a = 8.2272 (16) Å
b = 9.772 (2) Å
c = 10.484 (2) Å
= 63.81 (3)°
= 67.93 (3)°
= 84.03 (3)°
V = 699.0 (2) Å³
Z = 1
Mo K radiation
= 0.69 mm^-1
T = 293 K
0.42 × 0.26 × 0.20 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.760, T_max = 0.874
4982 measured reflections
2603 independent reflections
2527 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.087
S = 1.01
2603 reflections
227 parameters
5 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.31 e Å^-3
_min = -0.21 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Co1-O5	2.0882 (19)
Co1-N1	2.1412 (16)
Co1-N3	2.1579 (16)

O5-Co1-N1	88.32 (7)
N1-Co1-N3ⁱ	100.77 (6)
O5-Co1-N3	87.82 (7)
Symmetry code: (i) -x+1, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2AO1ⁱⁱ	0.92 (2)	1.87 (2)	2.791 (3)	178.8 (18)
N4-H4AO2ⁱⁱ	0.920 (18)	1.897 (19)	2.808 (3)	170.3 (19)
O5-H1WO1ⁱⁱⁱ	0.82 (2)	1.93 (2)	2.739 (3)	169 (2)
O5-H2WO4ⁱ	0.81 (2)	1.88 (2)	2.673 (3)	163 (2)
O3-H3O2	0.82	1.62	2.432 (3)	172
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) x+1, y-1, z; (iii) -x+1, -y+2, -z+1.

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; 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: SI2153 ).

Acknowledgements

This work was supported by the Foundation of the Education Committee of Fujian Province (grant No. JA08103), and the Foundation of Daiichi Pharmaceutical (Beijing) Co, Ltd (grant No. 06B004).

References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Hagrman, P. J., Hagrman, D. & Zubieta, J. (1999). Angew. Chem. Int. Ed. 38, 2638-2684.
Jia, H. P., Li, W., Ju, Z. F. & Zhang, J. (2007). Inorg. Chem. 10, 265-268.
Jiang, Y., Men, J., Liu, C.-Y., Zhang, Y. & Gao, G.-W. (2008). Acta Cryst. E64, o846.
Li, H., Eddaoudi, M. & Yaghi, O. M. (1999). Nature (London), 402, 276-279.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, Y. T., Tang, G. M., Wu, Y., Qin, X. Y. & Qin, D. W. (2007). J. Mol. Struct. 831, 61-68.

metal-organic compounds