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

Hu, C.; Zhao, S.; Lü, X.; Lu, R.

doi:10.1107/S1600536812044625

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 (C-C) = 0.005 Å
R = 0.050
wR = 0.105
Data-to-parameter ratio = 13.2
Details

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

Chunmei Hu,^a Shunsheng Zhao,^b Xingqiang Lü ^a and Rong Lu ^a ^*

^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 Cu^II 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)-HO and C-HO hydrogen bonds form a three-dimensional-network.

Related literature

For the synthetic method, see: Marinovich et al. (1999). For related structures, see: Tang (2009); Ji & Lu (2010).

Experimental

Crystal data

[Cu(C₂₂H₂₄N₂O₄)]·H₂O
M_r = 462.00
Monoclinic, P 2₁ /n
a = 11.2116 (13) Å
b = 10.5256 (12) Å
c = 18.171 (7) Å
= 106.185 (2)°
V = 2059.4 (9) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.736, T_max = 0.794
10265 measured reflections
3670 independent reflections
2859 reflections with I > 2(I)
R_int = 0.048

Refinement

R[F² > 2(F²)] = 0.050
wR(F²) = 0.105
S = 1.05
3670 reflections
279 parameters
3 restraints
H-atom parameters constrained
_max = 0.30 e Å^-3
_min = -0.30 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-HW1O1ⁱ	0.85	2.24	2.971 (5)	146
O5-HW1O2ⁱ	0.85	2.48	3.161 (4)	138
C8-H8AO3ⁱⁱ	0.93	2.44	3.352 (4)	166
C9-H9AO2ⁱⁱ	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); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; 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 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.
Marinovich, A. F., O'Mahony, R. S., Waters, J. M. & Waters, T. N. (1999). Croat. Chem. Acta, 72, 685-703.
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tang, C. (2009). Acta Cryst. E65, m317.

metal-organic compounds