(3-Carb­oxy-5-sulfonatobenzoato-κ2O1,O1′)bis­[2-(2-pyrid­yl)-1H-benzimidazole-κ2N2,N3]zinc(II) monohydrate

Chen, L.-J.; Lin, S.; Yang, M.-X.; Wu, X.-Y.

doi:10.1107/S1600536809009180

Volume 65
Part 4
Pages m413-m414
April 2009

Received 22 February 2009
Accepted 12 March 2009
Online 19 March 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R = 0.064
wR = 0.179
Data-to-parameter ratio = 16.0
Details

(3-Carboxy-5-sulfonatobenzoato-²O¹,O^1')bis[2-(2-pyridyl)-1H-benzimidazole-²N²,N³]zinc(II) monohydrate

Li-Juan Chen,^a,^b ^* Shen Lin,^a Ming-Xing Yang ^a and Xiao-Yuan Wu ^b

^aCollege of Chemistry and Materials Science, Fujian Normal University, Fuzhou, Fujian 350007, People's Republic of China, and ^bState Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China
Correspondence e-mail: ljchen@ms.fjirsm.ac.cn

In the title compound, [Zn(C₈H₄O₇S)(C₁₂H₉N₃)₂]·H₂O, the Zn^II atom has a distorted octahedral coordination geometry, defined by four N atoms from two 2-(2-pyridyl)-1H-benzimidazole ligands and two O atoms from a deprotonated carboxylate group of the 3-carboxy-5-sulfonatobenzoate ligand. In the crystal structure, the complex molecules are linked into a three-dimensional network by intermolecular O-HO and N-HO hydrogen bonds, and [pi] - [pi] stacking interactions with centroid-centroid separations of 3.758 (2) and 3.597 (1) Å.

Related literature

For general background, see: Xia et al. (2005). For related structures, see: Kulynych & Shimizu (2002); Liu & Xu (2005); Sun et al. (2003); Xia et al. (2006).

Experimental

Crystal data

[Zn(C₈H₄O₇S)(C₁₂H₉N₃)₂]·H₂O
M_r = 718.00
Triclinic, $[P \overline 1]$
a = 11.086 (4) Å
b = 12.695 (5) Å
c = 13.347 (4) Å
= 63.187 (10)°
= 68.376 (13)°
= 87.122 (17)°
V = 1543.2 (10) Å³
Z = 2
Mo K radiation
= 0.93 mm^-1
T = 293 K
0.14 × 0.11 × 0.08 mm

Data collection

Rigaku Mercury CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2002) T_min = 0.843, T_max = 0.929
12166 measured reflections
6935 independent reflections
3857 reflections with I > 2(I)
R_int = 0.035

Refinement

R[F² > 2(F²)] = 0.064
wR(F²) = 0.179
S = 0.99
6935 reflections
434 parameters
H-atom parameters constrained
_max = 0.89 e Å^-3
_min = -0.43 e Å^-3

Table 1
Selected bond lengths (Å)

Zn1-N1	2.080 (4)
Zn1-N3	2.257 (4)
Zn1-N4	2.067 (4)
Zn1-N6	2.210 (4)
Zn1-O1	2.216 (3)
Zn1-O2	2.193 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2BO1ⁱ	0.86	2.15	2.884 (5)	143
N5-H5BO3ⁱⁱ	0.86	2.05	2.833 (5)	151
O1W-H1WAO7ⁱⁱⁱ	0.82	1.87	2.678 (5)	167
O1W-H1WBO6^iv	0.82	2.05	2.825 (5)	157
O4-H4BO1W	0.82	1.78	2.575 (4)	163
Symmetry codes: (i) -x, -y, -z+2; (ii) x, y, z-1; (iii) -x+1, -y+1, -z+2; (iv) x+1, y, z.

Data collection: CrystalClear (Rigaku, 2002); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2185 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Fujian Province (grant Nos. 2006 F3141 and 2008 J0142).

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Kulynych, A. D. & Shimizu, G. K. H. (2002). CrystEngComm, 4, 102-105.
Liu, Q.-Y. & Xu, L. (2005). Inorg. Chem. Commun. 8, 401-405.
Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sun, D.-F., Cao, R., Sun, Y.-Q., Bi, W.-H., Yuan, D.-Q., Shi, Q. & Li, X. (2003). Chem. Commun. pp. 1528-1529.
Xia, C.-K., Lu, C.-Z., Yuan, D.-Q., Zhang, Q.-Z., Wu, X.-Y., Xiang, S.-C., Zhang, J.-J. & Wu, D.-M. (2006). CrystEngComm, 8, 281-291.
Xia, C.-K., Lu, C.-Z., Zhang, Q.-Z., He, X., Zhang, J.-J. & Wu, D.-M. (2005). Cryst. Growth Des. 5, 1569-1574.

metal-organic compounds

(3-Carboxy-5-sulfonatobenzoato-2O1,O1')bis[2-(2-pyridyl)-1H-benzimidazole-2N2,N3]zinc(II) monohydrate