catena-Poly[[[triaqua­copper(II)]-μ-pyridine-2,3-dicarboxyl­ato-κ3N,O2:O3] monohydrate]

Hao, L.; Mu, C.; Kong, B.

doi:10.1107/S1600536808025439

Volume 64
Part 10
Page m1229
October 2008

Received 15 June 2008
Accepted 7 August 2008
Online 6 September 2008

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.007 Å
R = 0.030
wR = 0.090
Data-to-parameter ratio = 7.3
Details

catena-Poly[[[triaquacopper(II)]--pyridine-2,3-dicarboxylato-³N,O²:O³] monohydrate]

Lujiang Hao,^a ^* Chunhua Mu ^b and Binbin Kong ^a

^aCollege of Food and Biological Engineering, Shandong Institute of Light Industry, Jinan 250353, People's Republic of China, and ^bMaize Research Insitute, Shandong Academy of Agricultural Science, Jinan 250100, People's Republic of China
Correspondence e-mail: lujianghao001@yahoo.com.cn

In the title compound, {[Cu(C₇H₃NO₄)(H₂O)₃]·H₂O}_n, the Cu^II ion is bonded to three water molecules, one N,O-bidentate pyridine-2,3-dicarboxylate dianion and one O-bonded symmetry-generated dianion, resulting in a distorted CuNO₅ octahedral geometry. The bridging ligand results in an infinite chain. A network of O-HO hydrogen bonds helps to establish the crystal structure.

Related literature

For background, see: Serre et al. (2005).

Experimental

Crystal data

[Cu(C₇H₃NO₄)(H₂O)₃]·H₂O
M_r = 300.71
Monoclinic, C c
a = 8.513 (3) Å
b = 17.983 (3) Å
c = 7.493 (3) Å
= 114.486 (10)°
V = 1043.9 (6) Å³
Z = 4
Mo K radiation
= 2.13 mm^-1
T = 296 (2) K
0.40 × 0.28 × 0.22 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2004) T_min = 0.484, T_max = 0.652
2686 measured reflections
1322 independent reflections
1310 reflections with I > 2(I)
R_int = 0.028

Refinement

R[F² > 2(F²)] = 0.030
wR(F²) = 0.089
S = 1.00
1322 reflections
180 parameters
14 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.61 e Å^-3
_min = -0.60 e Å^-3
Absolute structure: Flack (1983), 290 Friedel pairs
Flack parameter: 0.05 (3)

Table 1
Selected bond lengths (Å)

Cu1-O7	2.061 (3)
Cu1-O6	2.068 (3)
Cu1-O3	2.071 (3)
Cu1-O1	2.119 (4)
Cu1-O5	2.178 (5)
Cu1-N1	2.187 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H3WO4ⁱ	0.82 (9)	1.93 (8)	2.735 (6)	167 (8)
O5-H4WO6ⁱⁱ	0.82 (2)	2.35 (8)	2.966 (5)	132 (10)
O6-H5WO5ⁱⁱⁱ	0.82 (7)	2.29 (7)	2.966 (5)	140 (9)
O7-H7WO2^iv	0.83 (8)	1.90 (9)	2.720 (5)	169 (8)
O7-H8WO2ⁱⁱ	0.83 (8)	2.03 (4)	2.825 (5)	162 (11)
Symmetry codes: (i) $[x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x, -y, z+{\script{1\over 2}}]$ ; (iii) $[x, -y, z-{\script{1\over 2}}]$ ; (iv) x, y, z+1.

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB2747 ).

Acknowledgements

This work is supported by the Natural Science Foundation of Shandong Province (grant Nos. Y2007D39).

References

Bruker (2004). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Serre, C., Marrot, J. & Ferey, G. (2005). Inorg. Chem. 44, 654-658.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

catena-Poly[[[triaquacopper(II)]--pyridine-2,3-dicarboxylato-3N,O2:O3] monohydrate]