Aqua­bis­(4-chloro-2-hy­droxy­benzoato-κO)(1,10-phenanthroline-κ2N,N′)zinc(II)

Nie, J.-J.; Xu, X.; Xu, D.-J.

doi:10.1107/S1600536811020435

Volume 67
Part 7
Pages m855-m856
July 2011

Received 27 May 2011
Accepted 28 May 2011
Online 4 June 2011

Key indicators
Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
R = 0.034
wR = 0.101
Data-to-parameter ratio = 12.5
Details

Aquabis(4-chloro-2-hydroxybenzoato-O)(1,10-phenanthroline-²N,N')zinc(II)

Jing-Jing Nie,^a Xun Xu ^b and Duan-Jun Xu ^a ^*

^aDepartment of Chemistry, Zhejiang University, People's Republic of China, and ^bDepartment of Electrical Engineering and Information Technology, Faculty of Engineering, Kyushu Sangyo University, Japan
Correspondence e-mail: xudj@mail.hz.zj.cn

In the title compound, [Zn(C₇H₄ClO₃)₂(C₁₂H₈N₂)(H₂O)], the Zn^II cation is coordinated by two 4-chloro-2-salicylate anions, one 1,10-phenanthroline ligand and one water molecule in a square-pyramidal coordination geometry; the Zn cation lies 0.4591 (11) Å from the basal plane. The benzene rings of the anions are involved in [pi] - [pi] stacking. The centroid-centroid distance between parallel benzene rings of adjacent molecules is 3.9017 (17) Å, and the centroid-centroid distance between benzene and pyridine rings of adjacent molecules is 3.584 (2) Å. Intramolecular O-HO hydrogen bonding is present.

Related literature

For general background on [pi] - [pi] stacking, see: Deisenhofer & Michel (1989). For [pi] - [pi] stacking in dihydroxybenzoate complexes, see: Yang et al. (2006); Zhang et al. (2008). For [pi] - [pi] stacking found in chlorobenzoate complexes, see: Maroszová et al. (2006); Malamatari et al. (1995); Wen & Ying (2007); Wen et al. (2007). For centroid-to-centroid distances between benzene rings in salicylate complexes, see: Allen (2002).

Experimental

Crystal data

[Zn(C₇H₄ClO₃)₂(C₁₂H₈N₂)(H₂O)]
M_r = 606.69
Triclinic, $[P \overline 1]$
a = 8.2611 (12) Å
b = 11.0124 (16) Å
c = 14.654 (2) Å
= 100.534 (7)°
= 94.360 (8)°
= 111.315 (5)°
V = 1206.1 (3) Å³
Z = 2
Mo K radiation
= 1.29 mm^-1
T = 294 K
0.28 × 0.20 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.86, T_max = 0.92
13131 measured reflections
4275 independent reflections
3695 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.101
S = 1.05
4274 reflections
343 parameters
H-atom parameters constrained
_max = 0.64 e Å^-3
_min = -0.29 e Å^-3

Table 1
Selected bond lengths (Å)

Zn-O1	2.0155 (18)
Zn-O4	2.0325 (19)
Zn-O7	2.109 (2)
Zn-N1	2.130 (2)
Zn-N2	2.126 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3AO2	0.95	1.66	2.559 (3)	155
O6-H6AO5	0.95	1.72	2.595 (3)	151
O7-H7AO2	0.86	1.93	2.707 (3)	150
O7-H7BO5	0.96	1.75	2.674 (3)	163

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG5174 ).

Acknowledgements

This work was supported by the Natural Science Foundation of China (grant No. 20443003).

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.
Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.
Deisenhofer, J. & Michel, H. (1989). EMBO J. 8, 2149-2170.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Malamatari, D. A., Hitou, P., Hatzidimitriou, A. G., Inscore, F. E., Gourdon, A., Kirk, M. L. & Kessissoglou, D. P. (1995). Inorg. Chem. 34, 2493-2494.
Maroszová, J., Martiska, L., Valigura, D., Koman, M. & Glowiak, T. (2006). Acta Cryst. E62, m1164-m1166.
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wen, D., Ta, H., Zhong, C., Xie, T. & Wu, L. (2007). Acta Cryst. E63, m2446-m2447.
Wen, D. & Ying, S. (2007). Acta Cryst. E63, m2407-m2408.
Yang, Q., Zhang, L. & Xu, D.-J. (2006). Acta Cryst. E62, m2678-m2680.
Zhang, B.-Y., Nie, J.-J. & Xu, D.-J. (2008). Acta Cryst. E64, m937.