Diaqua­bis(cyclo­hexa­necarboxyl­ato)zinc(II) monohydrate

Zhang, Y.-W.; Wang, L.-J.; Hou, J.; Zeng, Q.-F.

doi:10.1107/S1600536809033479

Volume 65
Part 9
Page m1147
September 2009

Received 20 August 2009
Accepted 22 August 2009
Online 29 August 2009

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.007 Å
R = 0.054
wR = 0.158
Data-to-parameter ratio = 15.4
Details

Diaquabis(cyclohexanecarboxylato)zinc(II) monohydrate

Yue-Wu Zhang,^a Li-Jun Wang,^a Jian Hou ^a and Qing-Fu Zeng ^a ^*

^aEngineering Research Center for Clean Production of Textile Dyeing and Printing, Ministry of Education, Wuhan 430073, People's Republic of China
Correspondence e-mail: qfzeng@wuse.edu.cn

In the title compound, [Zn(C₇H₁₁O₂)₂(H₂O)₂]·H₂O, the Zn^II atom (site symmetry $[\overline{1}]$ ) is four-coordinated by two O atoms from the cyclohexanecarboxylate anions and two O atoms from the water molecules, forming a slightly distorted square-planar coordination. The O atom of the uncoordinated water molecule lies on a crysatllographic twofold rotation axis. In the crystal, the components are linked by O-HO hydrogen bonds, forming a three-dimensional network.

Related literature

For background, see: Cheng et al. (2006). For reference structural data, see: Allen et al. (1987).

Experimental

Crystal data

[Zn(C₇H₁₁O₂)₂(H₂O)₂]·H₂O
M_r = 373.75
Monoclinic, P 2/c
a = 15.9045 (16) Å
b = 4.9295 (6) Å
c = 11.5335 (16) Å
= 91.585 (6)°
V = 903.89 (19) Å³
Z = 2
Mo K radiation
= 1.39 mm^-1
T = 296 K
0.28 × 0.25 × 0.22 mm

Data collection

Enraf-Nonius CAD-4 diffractometer
Absorption correction: scan (North et al., 1968) T_min = 0.698, T_max = 0.750
4764 measured reflections
1752 independent reflections
1436 reflections with I > 2(I)
R_int = 0.032
200 standard reflections every 3 reflections intensity decay: 1%

Refinement

R[F² > 2(F²)] = 0.054
wR(F²) = 0.158
S = 1.07
1752 reflections
114 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 1.00 e Å^-3
_min = -0.37 e Å^-3

Table 1
Selected bond lengths (Å)

Zn1-O2	1.961 (3)
Zn1-O3	1.977 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O7-H7O1	0.834 (10)	1.99 (3)	2.699 (4)	142 (5)
O3-H3DO1ⁱ	0.846 (10)	2.53 (7)	3.132 (6)	129 (8)
O3-H3CO7ⁱⁱ	0.853 (10)	2.17 (2)	2.997 (5)	164 (6)
Symmetry codes: (i) $[x, -y+1, z-{\script{1\over 2}}]$ ; (ii) -x+1, -y+2, -z.

Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); 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: HB5057 ).

Acknowledgements

The project was supported by the Scientific Research Foundation for Returned Overseas Chinese Scholars, State Education Ministry, Educational Commission of Hubei Province (D20091703) and the Natural Science Foundation of Hubei Province (2008CDB038).

References

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.
Cheng, K., Zhu, H.-L. & Li, Y.-G. (2006). Z. Anorg. Allg. Chem. 632, 2326-2330.
Enraf-Nonius (1989). CAD-4 Software. Enraf-Nonius, Delft, The Netherlands.
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds