[Journal logo]

Volume 67 
Part 4 
Page m408  
April 2011  

Received 17 January 2011
Accepted 1 March 2011
Online 9 March 2011

[hy2402sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.034
wR = 0.106
Data-to-parameter ratio = 13.1
Details
Open access

Poly[[[mu]2-aqua-[mu]3-(4-carboxy-2-propyl-1H-imidazole-5-carboxylato-[kappa]4N3,O4:O4:O5)-sodium] hemihydrate]

Zhong-Jing Huang,a* Jin-Niu Tang,a Zhi-Rong Luo,a Dai-Yin Wanga and Huan Weia

aDepartment of Chemistry, Guangxi University for Nationalities, Nanning 530006, People's Republic of China
Correspondence e-mail: huangzhongjing1@yahoo.com.cn

In the title compound, {[Na(C8H9N2O4)(H2O)]·0.5H2O}n, the Na+ ion is coordinated by two bridging water molecules, one N atom and three O atoms from three 4-carboxy-2-propyl-1H-imidazole-5-carboxylate (H2pimdc) ligands. Adjacent Na+ ions are linked alternately by two water O atoms and two carboxy O atoms into a chain along [001]. These chains are connected through the coordination of the carboxylate O atoms to the Na+ ions, forming a three-dimensional structure. An intramolecular O-H...O hydrogen bond and intermolecular N-H...O and O-H...O hydrogen bonds are present in the crystal structure.

Related literature

For the properties and biological activity of imidazole-4,5-dicarboxylic acid and its derivatives, see: Baures (1999[Baures, P. W. (1999). Org. Lett. 1, 249-252.]); Bogdanova et al. (1992[Bogdanova, N. A., Kulikova, O. G. & Borodkin, Y. S. (1992). Bull. Exp. Biol. Med. 111, 159-161.]); Borodkin et al. (1984[Borodkin, Y. S., Shabanov, P. D., Lapina, I. A. & Yaitchnikov, I. K. (1984). Act. Nerv. Sup. 26, 97-102.]); Reichardt et al. (1992[Reichardt, B. A., Belyavtseva, L. M. & Kulikova, O. G. (1992). Bull. Exp. Biol. Med. 113, 506-508.]); Su et al. (2001[Su, C.-Y., Cai, Y.-P., Chen, C.-L. & Kang, B.-S. (2001). Inorg. Chem. 40, 2210-2211.]).

[Scheme 1]

Experimental

Crystal data

  • [Na(C8H9N2O4)(H2O)]·0.5H2O

  • Mr = 247.18

  • Monoclinic, C 2/c

  • a = 15.406 (4) Å

  • b = 15.478 (4) Å

  • c = 10.734 (3) Å

  • [beta] = 118.364 (3)°

  • V = 2252.4 (9) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.15 mm-1

  • T = 296 K

  • 0.52 × 0.47 × 0.44 mm
Data collection

  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.528, Tmax = 0.562

  • 5971 measured reflections

  • 1986 independent reflections

  • 1669 reflections with I > 2[sigma](I)

  • Rint = 0.020
Refinement

  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.106

  • S = 1.10

  • 1986 reflections

  • 152 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.23 e Å-3

  • [Delta][rho]min = -0.21 e Å-3

Table 1
Selected bond lengths (Å)

Na1-O1 2.3658 (15)
Na1-O1i 2.3644 (14)
Na1-O3ii 2.5550 (15)
Na1-O5 2.4011 (15)
Na1-O5iii 2.3818 (16)
Na1-N1 2.4848 (16)
Symmetry codes: (i) [-x, y, -z+{\script{1\over 2}}]; (ii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (iii) -x, -y, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...O3iv 0.86 2.00 2.8384 (18) 164
O2-H2...O4 0.82 1.64 2.4603 (18) 178
O5-H5B...O2i 0.91 2.07 2.9493 (18) 164
O5-H5A...O6 0.86 1.97 2.8234 (19) 169
O6-H6C...O4ii 0.88 2.03 2.8835 (16) 163
Symmetry codes: (i) [-x, y, -z+{\script{1\over 2}}]; (ii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (iv) [-x+1, y, -z+{\script{3\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART 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: DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2402 ).

Acknowledgements

This work was supported by the Innovation Project of Guangxi University for Nationalities (gxun-chx2010083).

References

Baures, P. W. (1999). Org. Lett. 1, 249-252.  [ISI] [CrossRef] [PubMed] [ChemPort]
Bogdanova, N. A., Kulikova, O. G. & Borodkin, Y. S. (1992). Bull. Exp. Biol. Med. 111, 159-161.
Borodkin, Y. S., Shabanov, P. D., Lapina, I. A. & Yaitchnikov, I. K. (1984). Act. Nerv. Sup. 26, 97-102.  [ChemPort]
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Reichardt, B. A., Belyavtseva, L. M. & Kulikova, O. G. (1992). Bull. Exp. Biol. Med. 113, 506-508.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Su, C.-Y., Cai, Y.-P., Chen, C.-L. & Kang, B.-S. (2001). Inorg. Chem. 40, 2210-2211.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]

Acta Cryst (2011). E67, m408  [ doi:10.1107/S1600536811007732 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.