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Volume 67 
Part 4 
Page m397  
April 2011  

Received 28 December 2010
Accepted 21 February 2011
Online 5 March 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.042
wR = 0.099
Data-to-parameter ratio = 12.5
Details
Open access

catena-Poly[[zinc-bis([mu]-2-sulfido-1H-benzimidazol-3-ium-5-carboxylato)-[kappa]2O:S;[kappa]2S:O] trihydrate]

Ya-Ping Li,a Da-Jun Sun,b* Hu Zang,c Li-Ying Hand and Guan-Fang Sua

aDepartment of Ophthalmology, the Second Hospital of Jilin University, Changchun 130041, People's Republic of China,bDepartment of Vascular Surgery, the China-Japan Union Hospital of Jilin University, Changchun 130033, People's Republic of China,cDepartment of Orthopedics, the China-Japan Union Hospital of Jilin University, Changchun 130033, People's Republic of China, and dDepartment of Gynecology, The Second Hospital of Jilin University, Changchun 130041, People's Republic of China
Correspondence e-mail: li_yp2002@yahoo.com.cn

In the title compound, {[Zn(C8H5N2O2S)2]·3H2O}n, the ZnII atom, lying on a twofold rotation axis, is four-coordinated by two S atoms and two O atoms from four 2-sulfido-1H-benzimidazol-3-ium-5-carboxylate (H2mbidc) ligands in a distorted tetrahedral geometry. Two H2mbidc ligands bridge two ZnII atoms, generating a double-chain along [[\overline{1}]01]. Adjacent chains are linked by N-H...O and O-H...O hydrogen bonds, forming a three-dimensional supramolecular network. One of the two water molecules also lies on a twofold rotation axis.

Related literature

For coordination polymers with helical chain structures, see: Chen & Liu (2002[Chen, X.-M. & Liu, G.-F. (2002). Chem. Eur. J. 8, 4811-4817.]); Cui et al. (2003[Cui, Y., Lee, S. J. & Lin, W. (2003). J. Am. Chem. Soc. 125, 6014-6015.]); Hu et al. (2008[Hu, Y.-W., Li, G.-H., Liu, X.-M., Hu, B., Bi, M.-H., Gao, L., Shi, Z. & Feng, S.-H. (2008). CrystEngComm, 10, 888-893.]); Ngo & Lin (2002[Ngo, H. L. & Lin, W. (2002). J. Am. Chem. Soc. 124, 14298-14299.]); Xiao et al. (2007[Xiao, D.-R., Li, Y.-G., Wang, E.-B., Fan, L.-L., An, H.-Y., Su, Z.-M. & Xu, L. (2007). Inorg. Chem. 46, 4158-4166.]); Yan et al. (2005[Yan, B., Capracotta, M. D. & Maggard, P. A. (2005). Inorg. Chem. 44, 6509-6511.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn(C8H5N2O2S)2]·3H2O

  • Mr = 505.86

  • Monoclinic, P 2/n

  • a = 8.031 (1) Å

  • b = 9.732 (3) Å

  • c = 12.436 (7) Å

  • [beta] = 96.584 (9)°

  • V = 965.6 (6) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.54 mm-1

  • T = 293 K

  • 0.20 × 0.18 × 0.15 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996)[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.] Tmin = 0.749, Tmax = 0.802

  • 4749 measured reflections

  • 1710 independent reflections

  • 1267 reflections with I > 2[sigma](I)

  • Rint = 0.049
Refinement

  • R[F2 > 2[sigma](F2)] = 0.042

  • wR(F2) = 0.099

  • S = 0.98

  • 1710 reflections

  • 137 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.42 e Å-3

  • [Delta][rho]min = -0.28 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...O1W 0.86 1.88 2.738 (5) 174
N2-H2...O1i 0.86 1.98 2.812 (4) 163
O1W-H1A...O2ii 0.84 2.21 2.907 (4) 140
O2W-H2A...O1 0.82 2.02 2.837 (4) 177
Symmetry codes: (i) [x-{\script{1\over 2}}, -y+1, z+{\script{1\over 2}}]; (ii) x, y+1, z.

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.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2396 ).

References

Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, X.-M. & Liu, G.-F. (2002). Chem. Eur. J. 8, 4811-4817.  [CrossRef] [ChemPort]
Cui, Y., Lee, S. J. & Lin, W. (2003). J. Am. Chem. Soc. 125, 6014-6015.  [ISI] [PubMed] [ChemPort]
Hu, Y.-W., Li, G.-H., Liu, X.-M., Hu, B., Bi, M.-H., Gao, L., Shi, Z. & Feng, S.-H. (2008). CrystEngComm, 10, 888-893.  [ChemPort]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Ngo, H. L. & Lin, W. (2002). J. Am. Chem. Soc. 124, 14298-14299.  [ISI] [PubMed] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Xiao, D.-R., Li, Y.-G., Wang, E.-B., Fan, L.-L., An, H.-Y., Su, Z.-M. & Xu, L. (2007). Inorg. Chem. 46, 4158-4166.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Yan, B., Capracotta, M. D. & Maggard, P. A. (2005). Inorg. Chem. 44, 6509-6511.  [ISI] [PubMed] [ChemPort]

Acta Cryst (2011). E67, m397  [ doi:10.1107/S1600536811006532 ]

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