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Volume 67 
Part 7 
Page m865  
July 2011  

Received 24 April 2011
Accepted 17 May 2011
Online 11 June 2011

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Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.027
wR = 0.070
Data-to-parameter ratio = 11.9
Details
Open access

trans-Diaquabis(1H-imidazole-4-carboxylato-[kappa]2N3,O4)nickel(II)

Shengrun Zheng,a Songliang Cai,a Jun Fana and Weiguang Zhanga*

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

In the title complex, [Ni(C4H3N2O2)2(H2O)2], the NiII ion is located on an inversion center and shows a distorted octahedral geometry, defined by two N,O-bidentate 1H-imidazole-4-carboxylate ligands in the equatorial plane and two water molecules in the axial positions. Intermolecular N-H...O hydrogen bonds link the complex molecules into layers parallel to (10[\overline{2}]), which are further linked into a three-dimensional supramolecular network through O-H...O hydrogen bonds.

Related literature

For general background to the design and synthesis of coordination polymers, see: Choi & Jeon (2003[Choi, K. Y. & Jeon, Y. M. (2003). Inorg. Chem. Commun. 6, 1294-1296.]); Moulton & Zaworotko (2001[Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629-1658.]); Roesky & Andruh (2003[Roesky, H. W. & Andruh, M. (2003). Coord. Chem. Rev. 236, 91-119.]); Tao et al. (2000[Tao, J., Tong, M.-L. & Chen, X.-M. (2000). J. Chem. Soc. Dalton Trans. pp. 3669-3674.]). For complexes with imidazole-4,5-dicarboxylic acid, see: Alkordi et al. (2009[Alkordi, M. H., Brant, J. A., Wojtas, L., Kravtsov, V. C., Cairns, A. J. & Eddaoudi, M. (2009). J. Am. Chem. Soc. 131, 17753-17755.]); Lu et al. (2009[Lu, W.-G., Jiang, L., Feng, X.-L. & Lu, T.-B. (2009). Inorg. Chem. 48, 6997-6999.]); Sun et al. (2005[Sun, Y.-Q., Zhang, J., Chen, Y.-M. & Yang, G.-Y. (2005). Angew. Chem. Int. Ed. 44, 5814-5817.]). For related structures, see: Gryz et al. (2007[Gryz, M., Starosta, W. & Leciejewicz, J. (2007). J. Coord. Chem. 60, 539-546.]); Haggag (2005[Haggag, S. S. (2005). Egypt. J. Chem. 48, 27-41.]); Starosta & Leciejewicz (2006[Starosta, W. & Leciejewicz, J. (2006). Acta Cryst. E62, m2648-m2650.]); Xu et al. (2008[Xu, Q., Zou, R.-Q., Zhong, R.-Q., Kachi-Terajima, C. & Takamizawa, S. (2008). Cryst. Growth Des. 8, 2458-2463.]); Yin et al. (2009[Yin, W.-P., Li, Y.-G., Mei, X.-L. & Yao, J.-C. (2009). Chin. J. Struct. Chem. 28, 1155-1159.]); Zheng et al. (2011[Zheng, S.-R., Cai, S.-L., Pan, M., Fan, J., Xiao, T.-T. & Zhang, W.-G. (2011). CrystEngComm, 13, 883-888.]).

[Scheme 1]

Experimental

Crystal data

  • [Ni(C4H3N2O2)2(H2O)2]

  • Mr = 316.91

  • Monoclinic, P 21 /c

  • a = 6.6123 (18) Å

  • b = 12.267 (3) Å

  • c = 7.239 (2) Å

  • [beta] = 101.059 (3)°

  • V = 576.2 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.72 mm-1

  • T = 298 K

  • 0.48 × 0.36 × 0.32 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.493, Tmax = 0.610

  • 2878 measured reflections

  • 1043 independent reflections

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

  • Rint = 0.027
Refinement

  • R[F2 > 2[sigma](F2)] = 0.027

  • wR(F2) = 0.070

  • S = 1.07

  • 1043 reflections

  • 88 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.42 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2N...O2i 0.86 2.16 2.942 (3) 152
N2-H2N...O1i 0.86 2.36 3.130 (2) 149
O1W-H1WA...O2ii 0.83 1.94 2.762 (2) 169
O1W-H1WB...O2iii 0.84 1.94 2.7654 (19) 168
Symmetry codes: (i) [x+1, -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, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: HY2425 ).

Acknowledgements

This work was supported financially by the National Natural Science Foundation of China (grant No. 21003053) and the Natural Science Foundation of Guangdong (grant No. 10451063101004667).

References

Alkordi, M. H., Brant, J. A., Wojtas, L., Kravtsov, V. C., Cairns, A. J. & Eddaoudi, M. (2009). J. Am. Chem. Soc. 131, 17753-17755.  [PubMed] [ChemPort]
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Choi, K. Y. & Jeon, Y. M. (2003). Inorg. Chem. Commun. 6, 1294-1296.  [ISI] [CSD] [CrossRef] [ChemPort]
Gryz, M., Starosta, W. & Leciejewicz, J. (2007). J. Coord. Chem. 60, 539-546.  [ISI] [CSD] [CrossRef] [ChemPort]
Haggag, S. S. (2005). Egypt. J. Chem. 48, 27-41.  [ChemPort]
Lu, W.-G., Jiang, L., Feng, X.-L. & Lu, T.-B. (2009). Inorg. Chem. 48, 6997-6999.  [PubMed] [ChemPort]
Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629-1658.  [ISI] [CrossRef] [PubMed] [ChemPort]
Roesky, H. W. & Andruh, M. (2003). Coord. Chem. Rev. 236, 91-119.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Starosta, W. & Leciejewicz, J. (2006). Acta Cryst. E62, m2648-m2650.  [CSD] [CrossRef] [details]
Sun, Y.-Q., Zhang, J., Chen, Y.-M. & Yang, G.-Y. (2005). Angew. Chem. Int. Ed. 44, 5814-5817.  [ISI] [CSD] [CrossRef] [ChemPort]
Tao, J., Tong, M.-L. & Chen, X.-M. (2000). J. Chem. Soc. Dalton Trans. pp. 3669-3674.  [CSD] [CrossRef]
Xu, Q., Zou, R.-Q., Zhong, R.-Q., Kachi-Terajima, C. & Takamizawa, S. (2008). Cryst. Growth Des. 8, 2458-2463.  [ChemPort]
Yin, W.-P., Li, Y.-G., Mei, X.-L. & Yao, J.-C. (2009). Chin. J. Struct. Chem. 28, 1155-1159.  [ChemPort]
Zheng, S.-R., Cai, S.-L., Pan, M., Fan, J., Xiao, T.-T. & Zhang, W.-G. (2011). CrystEngComm, 13, 883-888.  [ChemPort]

Acta Cryst (2011). E67, m865  [ doi:10.1107/S1600536811018824 ]

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