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Volume 69 
Part 5 
Page m268  
May 2013  

Received 27 March 2013
Accepted 8 April 2013
Online 13 April 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.032
wR = 0.085
Data-to-parameter ratio = 17.3
Details
Open access

Poly[[aqua{[mu]4-2-[(carboxymethyl)sulfanyl]nicotinato-[kappa]4O:O':O'':O'''}copper(II)] trihydrate]

aJinhua Radio and Television University, Zhejiang 321022, People's Republic of China
Correspondence e-mail: lwq8113@163.com

In the polymeric title complex, {[Cu(C8H5NO4S)(H2O)]·3H2O}n, the CuII cation is coordinated by one water molecule and four carboxylate O atoms from four 2-[(carboxymethyl)sulfanyl]nicotinate anions in a distorted square-pyramidal geometry. The 2-[(carboxymethyl)sulfanyl]nicotinate anion bridges four CuII cations, forming a two-dimensional polymeric complex parallel to the bc plane. In the crystal, O-H...O, O-H...N and O-H...S hydrogen bonds link the complex molecules and lattice water molecules into a three-dimensional supramolecular architecture.

Related literature

For background to the 2-[(carboxymethyl)sulfanyl]nicotinato ligand, see: Wang & Feng (2010[Wang, X.-J. & Feng, Y.-L. (2010). Acta Cryst. E66, o1298.]). For related compounds, see: Jiang et al. (2012[Jiang, X.-R., Wang, X.-J. & Feng, Y.-L. (2012). Inorg. Chim. Acta, 383, 38-45.]). For metal complexes with 2-mercaptonanicotinate ligands, see: Humphrey et al. (2006[Humphrey, S. M., Alberola, A., Gómez Garcíab, C. J. & Wood, P. T. (2006). Chem. Commun. pp. 1607-1609.]); Sun et al. (2011[Sun, D., Wang, D.-F., Han, X.-G., Zhang, N., Huang, R.-B. & Zheng, L.-S. (2011). Chem. Commun. pp. 746-748.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C8H5NO4S)(H2O)]·3H2O

  • Mr = 346.82

  • Monoclinic, P 21 /c

  • a = 9.940 (7) Å

  • b = 16.639 (9) Å

  • c = 7.876 (4) Å

  • [beta] = 96.28 (5)°

  • V = 1294.8 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.88 mm-1

  • T = 296 K

  • 0.25 × 0.09 × 0.06 mm

Data collection
  • Bruker SMART APEXII area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.812, Tmax = 0.892

  • 20324 measured reflections

  • 2973 independent reflections

  • 2331 reflections with I > 2[sigma](I)

  • Rint = 0.054

Refinement
  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.085

  • S = 1.04

  • 2973 reflections

  • 172 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-O1 1.958 (2)
Cu1-O2i 1.9682 (19)
Cu1-O3ii 1.9687 (19)
Cu1-O4iii 1.9836 (19)
Cu1-O1W 2.171 (2)
Symmetry codes: (i) -x+2, -y+1, -z+1; (ii) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iii) [-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...O4Wiv 0.82 1.93 2.747 (4) 174
O1W-H1WB...O2Wiii 0.84 2.11 2.899 (4) 156
O2W-H2WA...O3Wv 0.83 2.05 2.843 (5) 157
O2W-H2WB...O4 0.84 2.26 2.911 (4) 135
O2W-H2WB...N1 0.84 2.56 3.253 (4) 141
O3W-H3WA...O3vi 0.82 2.40 3.110 (4) 146
O3W-H3WB...O2W 0.83 2.00 2.803 (5) 165
O4W-H4WB...S1vi 0.85 2.62 3.356 (4) 146
Symmetry codes: (iii) [-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) x+1, y, z; (v) -x+1, -y, -z+1; (vi) x-1, y, 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.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5692 ).


Acknowledgements

The work was supported by the Zhejiang province education department scientific research project (No. Y201119396).

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Humphrey, S. M., Alberola, A., Gómez Garcíab, C. J. & Wood, P. T. (2006). Chem. Commun. pp. 1607-1609.  [CSD] [CrossRef]
Jiang, X.-R., Wang, X.-J. & Feng, Y.-L. (2012). Inorg. Chim. Acta, 383, 38-45.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Sun, D., Wang, D.-F., Han, X.-G., Zhang, N., Huang, R.-B. & Zheng, L.-S. (2011). Chem. Commun. pp. 746-748.  [CSD] [CrossRef]
Wang, X.-J. & Feng, Y.-L. (2010). Acta Cryst. E66, o1298.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m268  [ doi:10.1107/S1600536813009604 ]

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