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Volume 68 
Part 6 
Pages m763-m764  
June 2012  

Received 29 April 2012
Accepted 5 May 2012
Online 12 May 2012

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.028
wR = 0.068
Data-to-parameter ratio = 11.0
Details
Open access

catena-Poly[[diaquanickel(II)]-bis([mu]-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)]

Ru-Qin Gao,a* Chao-Hui Xiab and Guo-Ting Lia

aDepartment of Environmental and Municipal Engineering, North China University of Water Conservancy and Electric Power, Zhengzhou 450011, People's Republic of China, and bHenan Vocational College of Chemical Technology, Zhengzhou 450052, People's Republic of China
Correspondence e-mail: gaoruqin@ncwu.edu.cn

In the title compound, [Ni(C9H6N3O3S)2(H2O)2]n, the NiII atom, located on an inversion center, is ligated in an octahedral geometry by two carboxylate O atoms from two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate (L) ligands and two O atoms from water molecules in the equatorial plane, and two pyridine N atoms from other two L ligands at the apical sites. Two L ligands bridge pairs of metal atoms in an antiparallel manner, forming centrosymmetric dinuclear quasi-rectangular units which are linked into infinite double-stranded chains parallel to [100]. O-H...O hydrogen bonds between the coordinating water molecules and the carboxylate groups of the L ligand as well as interchain S...N interactions [2.726 (2)-3.363 (2) Å] lead to the formation of a layer structure parallel to (001).

Related literature

For coordination polymers of 1,3,4-oxadiazole-2-thione, see: Wu et al. (2010[Wu, B. L., Wang, R. Y., Ye, E., Zhang, H. Y. & Hou, H. W. (2010). Inorg. Chem. Commun. 13, 157-159.]); Lundin et al. (2006[Lundin, N. J., Blackman, A. G., Gordon, K. C. & Officer, D. L. (2006). Angew. Chem. Int. Ed. 45, 2582-2584.]); Wang et al. (2007)[Wang, Y. T., Tang, G. M. & Quang, Z. W. (2007). Polyhedron, 26, 4542-4550.]. For coordination polymers of symmetric pyridyl-containing oxadiazole ligands, see: Ma et al. (2007[Ma, C., Tian, G. & Zhang, R. (2007). Inorg. Chim. Acta, 360, 1762-1766.]); Du et al. (2006)[Du, M., Zhang, Z. H., Zhao, X. J. & Xu, Q. (2006). Inorg. Chem. 45, 5785-5792.]. For unsymmetric pyridyl-containing oxadiazole ligands, see: Wang & Li (2011[Wang, H.-R. & Li, G.-T. (2011). Acta Cryst. E67, m1457.]).

[Scheme 1]

Experimental

Crystal data

  • [Ni(C9H6N3O3S)2(H2O)2]

  • Mr = 567.20

  • Monoclinic, P 21 /c

  • a = 11.8862 (18) Å

  • b = 5.6431 (9) Å

  • c = 15.500 (2) Å

  • [beta] = 95.687 (2)°

  • V = 1034.5 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.20 mm-1

  • T = 293 K

  • 0.15 × 0.13 × 0.07 mm
Data collection

  • Siemens SMART CCD diffractometer

  • 7195 measured reflections

  • 1822 independent reflections

  • 1488 reflections with I > 2[sigma](I)

  • Rint = 0.034
Refinement

  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.068

  • S = 1.03

  • 1822 reflections

  • 166 parameters

  • 2 restraints

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

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.28 e Å-3

Table 1
Selected bond lengths (Å)

Ni1-O2 2.0702 (16)
Ni1-O4 2.0781 (18)
Ni1-N1i 2.1157 (19)
Symmetry code: (i) x+1, y, z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O4-H4A...O3 0.82 (1) 1.83 (1) 2.633 (3) 167 (3)
O4-H4B...O2ii 0.82 (1) 2.11 (2) 2.857 (3) 153 (3)
Symmetry code: (ii) x, y-1, z.

Data collection: SMART (Siemens, 1996[Siemens (1996). SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Siemens, 1994[Siemens (1994). SAINT. Siemens Analytical X-ray Instruments 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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZJ2075 ).

Acknowledgements

This work was supported by the Natural Science Foundation of China.

References

Du, M., Zhang, Z. H., Zhao, X. J. & Xu, Q. (2006). Inorg. Chem. 45, 5785-5792.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Lundin, N. J., Blackman, A. G., Gordon, K. C. & Officer, D. L. (2006). Angew. Chem. Int. Ed. 45, 2582-2584.  [ISI] [CrossRef] [ChemPort]
Ma, C., Tian, G. & Zhang, R. (2007). Inorg. Chim. Acta, 360, 1762-1766.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Siemens (1994). SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Siemens (1996). SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Wang, H.-R. & Li, G.-T. (2011). Acta Cryst. E67, m1457.  [CSD] [CrossRef] [details]
Wang, Y. T., Tang, G. M. & Quang, Z. W. (2007). Polyhedron, 26, 4542-4550.  [ISI] [CSD] [CrossRef] [ChemPort]
Wu, B. L., Wang, R. Y., Ye, E., Zhang, H. Y. & Hou, H. W. (2010). Inorg. Chem. Commun. 13, 157-159.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2012). E68, m763-m764   [ doi:10.1107/S1600536812020259 ]

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