Poly[[aqua­bis­[μ2-6-(pyridine-3-car­box­amido)­naphthalene-2-carboxyl­ato]copper(II)] dihydrate]

Song, Y.-S.; Lee, S.W.

doi:10.1107/S1600536812044157

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 (C-C) = 0.004 Å
R = 0.045
wR = 0.095
Data-to-parameter ratio = 15.8
Details

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

Yun-Sung Song ^a and Soon W. Lee ^a ^*

^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-HO or N-HO 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). For d-f coordination polymers based on linking ligands with pyridyl-carboxylate terminal ligands, see: Hu et al. (2012); Chen et al. (2010); Tang et al. (2010); Yue et al. (2011); Zhu et al. (2010). For related potential linking ligands, see: Han & Lee (2012); Zheng & Lee (2012). For the ligand used for the preparation of the title compound, see: Song & Lee (2012).

Experimental

Crystal data

[Cu(C₁₇H₁₁N₂O₃)₂(H₂O)]·2H₂O
M_r = 700.14
Monoclinic, C 2/c
a = 29.6255 (8) Å
b = 6.8582 (2) Å
c = 14.8264 (4) Å
= 94.728 (3)°
V = 3002.14 (14) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.870, T_max = 0.884
24367 measured reflections
3705 independent reflections
2462 reflections with I > 2(I)
R_int = 0.071

Refinement

R[F² > 2(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
_max = 0.31 e Å^-3
_min = -0.28 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1O5ⁱ	0.81 (3)	2.07 (3)	2.857 (4)	164 (3)
O5-H51O2ⁱⁱ	0.75 (4)	2.13 (4)	2.861 (3)	164 (4)
O5-H52O3	0.77 (4)	2.04 (4)	2.811 (4)	177 (5)
O4-H4O2ⁱⁱⁱ	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); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Bruker, 2008); 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.
Han, S. H. & Lee, S. W. (2012). Acta Cryst. E68, o294.
Hu, S., Sheng, T., Wen, Y., Fu, R. & Wu, X. (2012). Inorg. Chem. Commun. 16, 28-32.
Robin, A. Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, Y.-S. & Lee, S. W. (2012). Acta Cryst. E68, o1978.
Tang, Y. Z., Wen, H. R., Cao, Z., Wang, X. W., Huang, S. & Yu, C. L. (2010). Inorg. Chem. Commun. 13, 924-928.
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.
Zheng, Z. N. & Lee, S. W. (2012). Acta Cryst. E68, o774.
Zhu, L. C., Zhao, Y., Yu, S. J. & Zhao, M. M. (2010). Inorg. Chem. Commun. 13, 1299-1303.

metal-organic compounds

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