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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 [sigma](C-C) = 0.004 Å
R = 0.037
wR = 0.104
Data-to-parameter ratio = 13.5
Details
Open access

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

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 CuII 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 CuII ions, forming a polymeric chain along [010]. The chains are further connected via O-H...O 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-H...O hydrogen bonds.

Related literature

For background to complexes based on quinoline-2,3-dicarboxylic acid, see: Li & Liu (2010[Li, X. & Liu, G. (2010). Z. Kristallogr. New Cryst. Struct. 225, 761-762.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C11H5NO4)(H2O)2]·H2O

  • Mr = 332.76

  • Triclinic, [P \overline 1]

  • a = 7.0284 (14) Å

  • b = 7.5836 (15) Å

  • c = 13.276 (3) Å

  • [alpha] = 104.74 (3)°

  • [beta] = 91.19 (3)°

  • [gamma] = 116.03 (3)°

  • V = 607.7 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 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[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.763, Tmax = 0.854

  • 5813 measured reflections

  • 2696 independent reflections

  • 2382 reflections with I > 2[sigma](I)

  • Rint = 0.048

Refinement
  • R[F2 > 2[sigma](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

  • [Delta][rho]max = 0.73 e Å-3

  • [Delta][rho]min = -0.74 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
OW1-H1...OW3i 0.81 (2) 2.11 (2) 2.916 (4) 177 (4)
OW1-H2...O3i 0.81 (2) 2.15 (2) 2.944 (3) 166 (5)
OW2-H3...O1ii 0.87 (2) 2.12 (2) 2.962 (3) 163 (4)
OW2-H4...O2iii 0.89 (2) 2.29 (2) 3.174 (3) 178 (4)
OW3-H5...O1iv 0.82 (2) 1.96 (2) 2.775 (4) 170 (5)
OW3-H6...O3ii 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[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004[Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: 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.  [ChemPort]
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.  [CrossRef] [details]


Acta Cryst (2012). E68, m1395  [ doi:10.1107/S1600536812043206 ]

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