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Volume 68 
Part 11 
Page m1422  
November 2012  

Received 12 July 2012
Accepted 24 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.045
wR = 0.095
Data-to-parameter ratio = 15.8
Details
Open access

Poly[[aquabis[[mu]2-6-(pyridine-3-carboxamido)naphthalene-2-carboxylato]copper(II)] dihydrate]

aDepartment of Chemistry (BK21), Sungkyunkwan University, Natural Science Campus, Suwon 440-746, Republic of Korea
Correspondence e-mail: soonwlee@skku.edu

The title compound, {[Cu(C17H11N2O3)2(H2O)]·2H2O}n, is a two-dimensional polymer. The Cu2+ ion lies on the crystallographic twofold axis. The coordination sphere of the Cu2+ ion can be described as a distorted square pyramid. All of the H atoms in the amide group and lattice water molecules participate in O-H...O or N-H...O hydrogen bonding to strengthen the two-dimensioal framework of the polymer.

Related literature

For coordination polymers based on linking ligands with O- and N-donor atoms, see: Robin & Fromm (2006[Robin, A. Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157]). For d-f coordination polymers based on linking ligands with pyridyl-carboxylate terminal ligands, see: Hu et al. (2012[Hu, S., Sheng, T., Wen, Y., Fu, R. & Wu, X. (2012). Inorg. Chem. Commun. 16, 28-32.]); Chen et al. (2010[Chen, M. S., Su, Z., Chen, M., Chen, S. S., Li, Y. Z. & Sun, W. Y. (2010). CrystEngComm, 14, 3267-3276.]); Tang et al. (2010[Tang, Y. Z., Wen, H. R., Cao, Z., Wang, X. W., Huang, S. & Yu, C. L. (2010). Inorg. Chem. Commun. 13, 924-928.]); Yue et al. (2011[Yue, S. T., Wei, Z. Q., Wang, N., Liu, W. J., Zhao, X., Chang, L. M., Liu, Y. L., Mo, H. H. & Cai, Y. P. (2011). Inorg. Chem. Commun. 14, 1396-1399.]); Zhu et al. (2010[Zhu, L. C., Zhao, Y., Yu, S. J. & Zhao, M. M. (2010). Inorg. Chem. Commun. 13, 1299-1303.]). For related potential linking ligands, see: Han & Lee (2012[Han, S. H. & Lee, S. W. (2012). Acta Cryst. E68, o294.]); Zheng & Lee (2012[Zheng, Z. N. & Lee, S. W. (2012). Acta Cryst. E68, o774.]). For the ligand used for the preparation of the title compound, see: Song & Lee (2012[Song, Y.-S. & Lee, S. W. (2012). Acta Cryst. E68, o1978.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C17H11N2O3)2(H2O)]·2H2O

  • Mr = 700.14

  • Monoclinic, C 2/c

  • a = 29.6255 (8) Å

  • b = 6.8582 (2) Å

  • c = 14.8264 (4) Å

  • [beta] = 94.728 (3)°

  • V = 3002.14 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.79 mm-1

  • T = 296 K

  • 0.18 × 0.16 × 0.16 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.870, Tmax = 0.884

  • 24367 measured reflections

  • 3705 independent reflections

  • 2462 reflections with I > 2[sigma](I)

  • Rint = 0.071

Refinement
  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.095

  • S = 1.00

  • 3705 reflections

  • 234 parameters

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

  • [Delta][rho]max = 0.31 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...O5i 0.81 (3) 2.07 (3) 2.857 (4) 164 (3)
O5-H51...O2ii 0.75 (4) 2.13 (4) 2.861 (3) 164 (4)
O5-H52...O3 0.77 (4) 2.04 (4) 2.811 (4) 177 (5)
O4-H4...O2iii 0.90 (3) 1.95 (3) 2.820 (3) 163 (3)
Symmetry codes: (i) x, y-1, z; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iii) x, y+1, z.

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT and SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2, SAINT and SHELXTL. 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 (Bruker, 2008[Bruker (2008). APEX2, SAINT and SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: AA2070 ).


Acknowledgements

This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (No. 2012R1A1A2000876).

References

Bruker (2008). APEX2, SAINT and SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, M. S., Su, Z., Chen, M., Chen, S. S., Li, Y. Z. & Sun, W. Y. (2010). CrystEngComm, 14, 3267-3276.  [ISI] [CSD] [CrossRef]
Han, S. H. & Lee, S. W. (2012). Acta Cryst. E68, o294.  [CSD] [CrossRef] [details]
Hu, S., Sheng, T., Wen, Y., Fu, R. & Wu, X. (2012). Inorg. Chem. Commun. 16, 28-32.  [ISI] [CSD] [CrossRef] [ChemPort]
Robin, A. Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157  [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Song, Y.-S. & Lee, S. W. (2012). Acta Cryst. E68, o1978.  [CrossRef] [details]
Tang, Y. Z., Wen, H. R., Cao, Z., Wang, X. W., Huang, S. & Yu, C. L. (2010). Inorg. Chem. Commun. 13, 924-928.  [ISI] [CSD] [CrossRef] [ChemPort]
Yue, S. T., Wei, Z. Q., Wang, N., Liu, W. J., Zhao, X., Chang, L. M., Liu, Y. L., Mo, H. H. & Cai, Y. P. (2011). Inorg. Chem. Commun. 14, 1396-1399.  [ISI] [CSD] [CrossRef] [ChemPort]
Zheng, Z. N. & Lee, S. W. (2012). Acta Cryst. E68, o774.  [CSD] [CrossRef] [details]
Zhu, L. C., Zhao, Y., Yu, S. J. & Zhao, M. M. (2010). Inorg. Chem. Commun. 13, 1299-1303.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m1422  [ doi:10.1107/S1600536812044157 ]

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