Tetra­kis(1H-imidazole-κN3)(2-phenyl­propanedioato-κ2O1,O3)nickel(II)

Zhang, K.-L.; Diao, G.-W.; Ng, S.W.

doi:10.1107/S1600536810041577

Volume 66
Part 11
Page m1430
November 2010

Received 12 October 2010
Accepted 14 October 2010
Online 23 October 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.041
wR = 0.086
Data-to-parameter ratio = 18.0
Details

Tetrakis(1H-imidazole-N³)(2-phenylpropanedioato-²O¹,O³)nickel(II)

Kou-Lin Zhang,^a Guo-Wang Diao ^a and Seik Weng Ng ^b ^*

^aCollege of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, People's Republic of China, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

In the title complex, [Ni(C₉H₆O₄)(C₃H₄N₂)₄], the Ni^II ion is O,O'-chelated by the phenylmalonato ligand and coordinated by four imidazole ligands in a slightly distorted octahedral geometry. In the crystal structure, symmetry-related molecules are linked by N-HO hydrogen bonds, generating a three-dimensional network.

Related literature

For the cobalt(II) analog, see: Zhang et al. (2007).

Experimental

Crystal data

[Ni(C₉H₆O₄)(C₃H₄N₂)₄]
M_r = 509.18
Orthorhombic, P 2₁ 2₁ 2₁
a = 8.5358 (8) Å
b = 13.3148 (12) Å
c = 20.6996 (19) Å
V = 2352.6 (4) Å³
Z = 4
Mo K radiation
= 0.87 mm^-1
T = 293 K
0.25 × 0.20 × 0.15 mm

Data collection

Bruker SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.812, T_max = 0.881
15962 measured reflections
5516 independent reflections
4013 reflections with I > 2(I)
R_int = 0.051

Refinement

R[F² > 2(F²)] = 0.041
wR(F²) = 0.086
S = 0.98
5516 reflections
307 parameters
H-atom parameters constrained
_max = 0.41 e Å^-3
_min = -0.31 e Å^-3
Absolute structure: Flack (1983), 2344 Friedel pairs
Flack parameter: 0.082 (13)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2O3ⁱ	0.88	2.06	2.943 (3)	176
N4-H4O1ⁱⁱ	0.88	1.97	2.839 (3)	168
N6-H6O2ⁱⁱⁱ	0.88	1.90	2.774 (3)	172
N8-H8O4^iv	0.88	1.85	2.718 (3)	169
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) x-1, y, z; (iii) $[-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iv) $[-x+{\script{3\over 2}}, -y+1, z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5153 ).

Acknowledgements

We thank the Key Laboratory of Environmental Material and Environmental Engineering of Jiangsu Province, Yangzhou University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.
Zhang, K.-L., Kuai, H.-W., Liu, W.-L. & Diao, G.-W. (2007). J. Mol. Struct. 831, 114-118.

metal-organic compounds

Tetrakis(1H-imidazole-N3)(2-phenylpropanedioato-2O1,O3)nickel(II)