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

Xia, Q.-H.; Guo, Z.-F.; Liu, L.; Wang, Z.; Li, B.

doi:10.1107/S1600536812043206

Volume 68
Part 11
Page m1395
November 2012

Received 27 August 2012
Accepted 17 October 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.037
wR = 0.104
Data-to-parameter ratio = 13.5
Details

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

Qiao-Hua Xia,^a Zhong-Fu Guo,^a Li Liu,^a Zhi-kun Wang ^a and Bing Li ^a ^*

^aCollege of Sciences, Zhejiang A&F University, Lin'an, Hangzhou, Zhejiang 311300, People's Republic of China
Correspondence e-mail: libingzjfc@163.com

In the title compound, {[Cu(C₁₁H₅NO₄)(H₂O)₂]·H₂O}_n, the Cu^II ion is five-coordinated by two O atoms and one N atom of two symmetry-related quinoline-2,3-dicarboxylate ligands, and two water molecules. The water molecules occupy basal and apical positions of the square-pyramidal coordination polyhedron. Each quinoline-2,3-dicarboxylate dianion bridges two adjacent Cu^II ions, forming a polymeric chain along [010]. The chains are further connected via O-HO hydrogen-bonding interactions and quinoline ring [pi] - [pi] interactions [centroid-centroid distance = 3.725 (4) Å], generating a three-dimensional structure. Lattice water molecules participate in the crystal structure via O-HO hydrogen bonds.

Related literature

For background to complexes based on quinoline-2,3-dicarboxylic acid, see: Li & Liu (2010).

Experimental

Crystal data

[Cu(C₁₁H₅NO₄)(H₂O)₂]·H₂O
M_r = 332.76
Triclinic, $[P \overline 1]$
a = 7.0284 (14) Å
b = 7.5836 (15) Å
c = 13.276 (3) Å
= 104.74 (3)°
= 91.19 (3)°
= 116.03 (3)°
V = 607.7 (2) Å³
Z = 2
Mo K radiation
= 1.83 mm^-1
T = 293 K
0.43 × 0.34 × 0.20 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.763, T_max = 0.854
5813 measured reflections
2696 independent reflections
2382 reflections with I > 2(I)
R_int = 0.048

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.104
S = 1.10
2696 reflections
199 parameters
10 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.73 e Å^-3
_min = -0.74 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
OW1-H1OW3ⁱ	0.81 (2)	2.11 (2)	2.916 (4)	177 (4)
OW1-H2O3ⁱ	0.81 (2)	2.15 (2)	2.944 (3)	166 (5)
OW2-H3O1ⁱⁱ	0.87 (2)	2.12 (2)	2.962 (3)	163 (4)
OW2-H4O2ⁱⁱⁱ	0.89 (2)	2.29 (2)	3.174 (3)	178 (4)
OW3-H5O1^iv	0.82 (2)	1.96 (2)	2.775 (4)	170 (5)
OW3-H6O3ⁱⁱ	0.80 (2)	2.12 (2)	2.909 (3)	169 (5)
Symmetry codes: (i) x+1, y, z; (ii) x, y-1, z; (iii) -x+1, -y+1, -z; (iv) -x, -y+1, -z.

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004); 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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BH2454 ).

Acknowledgements

This work was supported by the National Natural Science (No.21207117) and Zhejiang Provincial Municipal Science and Technology Project (2008 C12055).

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, X. & Liu, G. (2010). Z. Kristallogr. New Cryst. Struct. 225, 761-762.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

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