[Journal logo]

Volume 68 
Part 12 
Page m1458  
December 2012  

Received 23 October 2012
Accepted 29 October 2012
Online 10 November 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.005 Å
R = 0.050
wR = 0.105
Data-to-parameter ratio = 13.2
Details
Open access

{6,6'-Dimethoxy-2,2'-[cyclohexane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}copper(II) monohydrate

aCollege of Chemical Engineering, Northwest University, Xi'an 710069, Shaanxi, People's Republic of China, and bCollege of Chemistry and Chemical Engineering, Xi'an University of Science and Technology, Xi'an 710054, Shaanxi, People's Republic of China
Correspondence e-mail: lu78441@yahoo.com.cn

In the title compound, [Cu(C22H24N2O4)]·H2O, the CuII atom is four-coordinated in a distorted planar geometry with a mean deviation of 0.1164 (2) Å for the plane generated by the ligating atoms of the salen-type Schiff base ligand. In the crystal, O(water)-H...O and C-H...O hydrogen bonds form a three-dimensional-network.

Related literature

For the synthetic method, see: Marinovich et al. (1999[Marinovich, A. F., O'Mahony, R. S., Waters, J. M. & Waters, T. N. (1999). Croat. Chem. Acta, 72, 685-703.]). For related structures, see: Tang (2009[Tang, C. (2009). Acta Cryst. E65, m317.]); Ji & Lu (2010[Ji, X.-H. & Lu, J.-F. (2010). Acta Cryst. E66, m881.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C22H24N2O4)]·H2O

  • Mr = 462.00

  • Monoclinic, P 21 /n

  • a = 11.2116 (13) Å

  • b = 10.5256 (12) Å

  • c = 18.171 (7) Å

  • [beta] = 106.185 (2)°

  • V = 2059.4 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.10 mm-1

  • T = 296 K

  • 0.38 × 0.24 × 0.21 mm

Data collection
  • Bruker SMART 1K CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.736, Tmax = 0.794

  • 10265 measured reflections

  • 3670 independent reflections

  • 2859 reflections with I > 2[sigma](I)

  • Rint = 0.048

Refinement
  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.105

  • S = 1.05

  • 3670 reflections

  • 279 parameters

  • 3 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-HW1...O1i 0.85 2.24 2.971 (5) 146
O5-HW1...O2i 0.85 2.48 3.161 (4) 138
C8-H8A...O3ii 0.93 2.44 3.352 (4) 166
C9-H9A...O2ii 0.98 2.65 3.579 (5) 159
Symmetry codes: (i) x+1, y, z; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). SMART and SAINT. 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 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL and local programs.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: QM2087 ).


Acknowledgements

This project was supported by the National Natural Science Foundation of China (program Nos. 21103135 and 21073139), the Natural Science Basic Research Plan in Shaanxi Province of China (program No. 2011JQ2011), the Scientific Research Program funded by Shaanxi Provincial Education Department (program No. 12 J K0622) and a grant from Xi'an University of Science and Technology (program No. 2010QDJ030).

References

Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Ji, X.-H. & Lu, J.-F. (2010). Acta Cryst. E66, m881.  [CSD] [CrossRef] [details]
Marinovich, A. F., O'Mahony, R. S., Waters, J. M. & Waters, T. N. (1999). Croat. Chem. Acta, 72, 685-703.  [ChemPort]
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tang, C. (2009). Acta Cryst. E65, m317.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1458  [ doi:10.1107/S1600536812044625 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.