Diaqua­bis(2,2′-biimidazole)zinc(II) 4,4′-di­carboxybiphenyl-3,3′-di­carboxyl­ate

Kang, J.; Huang, C.-C.; Jiang, Z.-Q.; Huang, S.; Huang, S.-L.

doi:10.1107/S1600536809008022

Volume 65
Part 4
Page m452
April 2009

Received 20 January 2009
Accepted 5 March 2009
Online 28 March 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.036
wR = 0.096
Data-to-parameter ratio = 12.3
Details

Diaquabis(2,2'-biimidazole)zinc(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate

Jie Kang,^a,^b ^* Chang-Cang Huang,^b Zhi-Qing Jiang,^a Sheng Huang ^a and Shuang-Lu Huang ^a

^aCollege of Pharmacy, Fujian Medical University, Fuzhou, Fujian 350004, People's Republic of China, and ^bState Key Laboratory Breeding Base of Photocatalysis, Fuzhou University, Fuzhou 350002, People's Republic of China
Correspondence e-mail: davidkj660825@163.com

In the title compound, [Zn(C₆H₆N₄)₂(H₂O)₂](C₁₆H₈O₈), the Zn^II atom, located on an inversion centre, is coordinated by two aqua and two bidentate biimidizole ligands, resulting in a slightly distorted octahedral ZnO₂N₄ geometry. The four N atoms from the two biimidizole ligands lie in the equatorial plane and the two aqua O atoms lie in the axial sites. The biphenyltetracarboxylate anion also lies on an inversion centre. The Zn^II complex cation and the anion are held together by N-HO hydrogen bonds, forming a zigzag chain along [2 $[\overline{1}]$ 1]. The chains are further connected by water molecules via O-HO hydrogen bonds.

Related literature

For general background, see: Hagrman et al. (1999); Jia et al. (2007); Kortz et al. (2003).

Experimental

Crystal data

[Zn(C₆H₆N₄)₂(H₂O)₂](C₁₆H₈O₈)
M_r = 697.92
Triclinic, $[P \overline 1]$
a = 8.2133 (16) Å
b = 9.810 (2) Å
c = 10.498 (2) Å
= 63.72 (3)°
= 68.00 (3)°
= 83.85 (3)°
V = 701.4 (2) Å³
Z = 1
Mo K radiation
= 0.95 mm^-1
T = 293 K
0.12 × 0.10 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.894, T_max = 0.928
5074 measured reflections
2674 independent reflections
2579 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.096
S = 1.00
2674 reflections
218 parameters
1 restraint
H atoms treated by a mixture of independent and constrained refinement
_max = 0.28 e Å^-3
_min = -0.22 e Å^-3

Table 1
Selected bond lengths (Å)

Zn1-O1W	2.135 (2)
Zn1-N3	2.1419 (18)
Zn1-N2	2.1625 (19)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO1ⁱ	0.88	1.94	2.802 (3)	169
N4-H4AO2ⁱ	0.90	1.89	2.791 (3)	176
O1W-H1WO4ⁱⁱ	0.81	1.90	2.683 (2)	162
O1W-H2WO2ⁱⁱⁱ	0.79	1.98	2.751 (3)	164
O3-H3AO1	0.93 (3)	1.52 (3)	2.434 (3)	165 (4)
Symmetry codes: (i) -x+2, -y, -z+1; (ii) -x+1, -y+1, -z+1; (iii) -x+1, -y, -z+1.

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; 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: IS2385 ).

Acknowledgements

This work was supported by the Foundation of the Education Committee of Fujian Province (JA08103), and the Foundation of Daiichi Pharmaceutical (Beijing) Co, Ltd. (No. 06B004).

References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Hagrman, P. J., Hagrman, D. & Zubieta, J. (1999). Angew. Chem. Int. Ed. 38, 2638-2684.
Jia, H.-P., Li, W., Ju, Z.-F. & Zhang, J. (2007). Inorg. Chem. 10, 265-268.
Kortz, U., Hamzeh, S. S. & Nasser, N. A. (2003). Chem. Eur. J. 9, 2945-2952.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds