Bis[4-(4-chloro­benzo­yl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ2O,O′]bis­(methanol-κO)nickel(II)

Zhang, X.; Huang, M.; Du, C.; Han, J.

doi:10.1107/S1600536810038973

Volume 66
Part 11
Page m1361
November 2010

Received 7 September 2010
Accepted 29 September 2010
Online 9 October 2010

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.004 Å
R = 0.034
wR = 0.094
Data-to-parameter ratio = 13.7
Details

Bis[4-(4-chlorobenzoyl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-²O,O']bis(methanol-O)nickel(II)

Xin Zhang,^a ^* Meng Huang,^a Cong Du ^a and Junjing Han ^a

^aCollege of Chemistry, Tianjin Normal University, Tianjin 300387, People's Republic of China
Correspondence e-mail: zxin_tj@126.com

The molecular structure of the neutral mononuclear title complex, [Ni(C₁₇H₁₂ClN₂O₂)₂(CH₃OH)₂], is centrosymmetric. The Ni^II atom, which is located on an inversion center, is in a distorted octahedral coordination, defined by four O atoms from two ligands as well as two O atoms from two methanol molecules. Intermolecular O-HN hydrogen bonds between the hydroxy group of methanol and a pyrazole N atom link the molecules, forming a two-dimensional network parallel to (100).

Related literature

For general background to Schiff base compounds in coordination chemistry, see: Harrop et al. (2003); Yu et al. (1993); Wu et al. (1993). For the antibacterial properties of Schiff bases derived from 4-acyl-5-pyrazolones and their metal complexes, see: Li et al. (1997, 2004).

Experimental

Crystal data

[Ni(C₁₇H₁₂ClN₂O₂)₂(CH₄O)₂]
M_r = 746.27
Monoclinic, P 2₁ /c
a = 11.8398 (7) Å
b = 12.3162 (7) Å
c = 13.2104 (8) Å
= 114.706 (1)°
V = 1750.03 (18) Å³
Z = 2
Mo K radiation
= 0.76 mm^-1
T = 296 K
0.24 × 0.22 × 0.18 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1999) T_min = 0.834, T_max = 0.872
8808 measured reflections
3089 independent reflections
2534 reflections with I > 2(I)
R_int = 0.021

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.094
S = 1.03
3089 reflections
225 parameters
H-atom parameters constrained
_max = 0.37 e Å^-3
_min = -0.34 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3AN2ⁱ	0.85	2.00	2.795 (2)	156
Symmetry code: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; 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: BH2312 ).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (No. 20771083).

References

Bruker (1999). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Harrop, T. C., Olmstead, M. M. & Mascharak, P. K. (2003). Chem. Commun. pp. 410-411.
Li, J.-Z., Jiang, L. & An, Y.-M. (2004). Chin. J. Appl. Chem. 21, 150-153.
Li, J.-Z., Yu, W.-J. & Du, X.-Y. (1997). Chin. J. Appl. Chem. 14, 98-100.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wu, J. G., Deng, R. W. & Chen, Z. N. (1993). Transition Met. Chem. 18, 23-26.
Yu, S. Y. , Wang, S. X., Luo, Q. H., Wang, L. F, Peng, Z. R. & Gao, X. (1993). Polyhedron, 12, 1093-1096.

metal-organic compounds

Bis[4-(4-chlorobenzoyl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-2O,O']bis(methanol-O)nickel(II)