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Volume 67 
Part 9 
Page m1257  
September 2011  

Received 8 July 2011
Accepted 11 August 2011
Online 17 August 2011

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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.035
wR = 0.088
Data-to-parameter ratio = 9.8
Details
Open access

trans-Diaquabis[4-carboxy-5-carboxylato-2-(pyridin-1-ium-4-yl)-1H-imidazol-1-ido-[kappa]2N1,O5]cobalt(II)

Lin Sun,a Yu Hua Huang,a Ting Ting Chena and Hong Denga*

aSchool of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China
Correspondence e-mail: dh@scnu.edu.cn

In the title compound, [Co(C10H6N3O4)2(H2O)2], the CoII ion is coordinated by two O atoms of two water molecules, two imidazole nitrogen atoms and two carboxylate O atoms of the two trans-standing chelate ligands, displaying a distorted octahedral coordination geometry. A three-dimensional supramolecular framework is generated through N-H...O, O-H...N and O-H...O hydrogen-bonding interactions.

Related literature

For the chemistry of N-heterocyclic carboxylic acids, see: Peng et al. (2010[Peng, G., Qiu, Y. C., Liu, Z. H., Liu, B. & Deng, H. (2010). Cryst. Growth Des. 10, 114-121.]); Liu et al. (2005[Liu, Z., Chen, Y., Liu, P., Wang, J. & Huang, M. H. (2005). J. Solid State Chem. 178, 2306-2312.]). For the applications of 2-(pyridine-4-yl)-1H-4,5-imidazoledicarboxylic acid, see: Li, Liu et al. (2009[Li, X., Liu, W., Wu, B.-L. & Zhang, H.-Y. (2009). Acta Cryst. E65, m820-m821.]); Sun et al. (2006[Sun, T., Ma, J.-P., Huang, R.-Q. & Dong, Y.-B. (2006). Acta Cryst. E62, o2751-o2752.]); Li, Wu et al. (2009[Li, X., Wu, B., Niu, C., Niu, Y. & Zhang, H. (2009). Cryst. Growth Des. 9, 3423-3431.]); Chen et al. (2010[Chen, L. Z., Huang, Y., Xiong, R. & Hu, H. J. (2010). J. Mol. Struct. 963, 16-21.]).

[Scheme 1]

Experimental

Crystal data

  • [Co(C10H6N3O4)2(H2O)2]

  • Mr = 559.32

  • Monoclinic, C 2/c

  • a = 7.4146 (17) Å

  • b = 20.190 (5) Å

  • c = 13.361 (3) Å

  • [beta] = 97.383 (3)°

  • V = 1983.6 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.95 mm-1

  • T = 296 K

  • 0.27 × 0.26 × 0.24 mm
Data collection

  • Bruker AXS SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.775, Tmax = 0.797

  • 4997 measured reflections

  • 1775 independent reflections

  • 1480 reflections with I > 2[sigma](I)

  • Rint = 0.032
Refinement

  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.088

  • S = 1.01

  • 1775 reflections

  • 181 parameters

  • 3 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.27 e Å-3

  • [Delta][rho]min = -0.43 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...N2i 0.84 (2) 2.05 (2) 2.889 (3) 176 (4)
O1W-H1WB...O4ii 0.81 (2) 2.27 (2) 3.046 (3) 161 (4)
N3-H3...O4iii 0.91 (3) 1.86 (3) 2.754 (3) 170 (3)
O3-H3A...O2 1.20 (4) 1.25 (4) 2.451 (3) 172 (3)
Symmetry codes: (i) [-x+{\script{3\over 2}}, -y+{\script{1\over 2}}, -z+1]; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5574 ).

Acknowledgements

The authors acknowledge South China Normal University and the National Natural Science Foundation of China (grant No. 20871048) for supporting this work.

References

Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, L. Z., Huang, Y., Xiong, R. & Hu, H. J. (2010). J. Mol. Struct. 963, 16-21.
Li, X., Liu, W., Wu, B.-L. & Zhang, H.-Y. (2009). Acta Cryst. E65, m820-m821.  [CrossRef] [details]
Li, X., Wu, B., Niu, C., Niu, Y. & Zhang, H. (2009). Cryst. Growth Des. 9, 3423-3431.  [CSD] [CrossRef] [ChemPort]
Liu, Z., Chen, Y., Liu, P., Wang, J. & Huang, M. H. (2005). J. Solid State Chem. 178, 2306-2312.  [ChemPort]
Peng, G., Qiu, Y. C., Liu, Z. H., Liu, B. & Deng, H. (2010). Cryst. Growth Des. 10, 114-121.  [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sun, T., Ma, J.-P., Huang, R.-Q. & Dong, Y.-B. (2006). Acta Cryst. E62, o2751-o2752.  [CSD] [CrossRef] [details]

Acta Cryst (2011). E67, m1257  [ doi:10.1107/S1600536811032545 ]

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