Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato- kappa(2) O,O ')bis(ethanol-kappa O)-cobalt(II)

被引:3
作者
Idemudia, Omoruyi G. [1 ]
Hosten, Eric C. [2 ]
机构
[1] Univ Ft Hare, Dept Chem, Private Bag X1314, ZA-5700 Alice, South Africa
[2] Nelson Mandela Metropolitan Univ, Dept Chem, ZA-6031 Port Elizabeth, South Africa
关键词
data-to-parameter ratio = 18.8; disorder in main residue; mean σ(C-C) = 0.003 Å; R factor = 0.034; single-crystal X-ray study; T = 200 K; wR factor = 0.095;
D O I
10.1107/S1600536812032837
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, [Co(C17H13N2O2)(2)(C2H5OH)(2)], is a Co-II complex with two 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5olate (BMPP) ligands and two coordinating ethanol molecules. In the asymmetric unit, there are two half molecules, with the Co-II atoms located on inversion centres. The two cobalt complexes have slightly different geometries and in one, the ethyl group of the ethanol is disordered over two sets of sites [occupancy ratio 0.757 (7):0.243 (7)]. Each BMPP ligand is deprotonated with the negative charge delocalized. The hydroxy group of each ethanol molecule forms hydrogen bonds with a pyrazole N atom in an adjacent BMPP ligand. Weaker C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions link the molecules into a three-dimensional structure.
引用
收藏
页码:M1107 / +
页数:14
相关论文
共 13 条
[1]  
[Anonymous], 2008, SADABS
[2]  
Bruker, 2010, APEX2 SAINT
[3]  
Farrugia L.J., 1997, J APPL CRYSTALLOGR, V30, P565, DOI [DOI 10.1107/S0021889897003117, 10.1107/S0021889897003117]
[4]   ShelXle: a Qt graphical user interface for SHELXL [J].
Huebschle, Christian B. ;
Sheldrick, George M. ;
Dittrich, Birger .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2011, 44 :1281-1284
[5]   3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1H-pyrazol-5(4H)-one [J].
Idemudia, Omoruyi G. ;
Sadimenko, Alexander P. ;
Afolayan, Anthony J. ;
Hosten, Eric C. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 :O1280-+
[6]   Acylpyrazolone ligands: Synthesis, structures, metal coordination chemistry and applications [J].
Marchetti, F ;
Pettinari, C ;
Pettinari, R .
COORDINATION CHEMISTRY REVIEWS, 2005, 249 (24) :2909-2945
[7]   Synthesis and Crystal Structure of an Oxovanadium(IV) Complex with a Pyrazolone Ligand and Its Use as a Heterogeneous Catalyst for the Oxidation of Styrene under Mild Conditions [J].
Parihar, Sanjay ;
Pathan, Soyeb ;
Jadeja, R. N. ;
Patel, Anjali ;
Gupta, Vivek K. .
INORGANIC CHEMISTRY, 2012, 51 (02) :1152-1161
[8]   Synthesis, spectral, redox and antimicrobial activities of Schiff base complexes derived from 1-phenyl-2,3-dimethyl-4-aminopyrazol-5-one and acetoacetanilide [J].
Raman, N ;
Kulandaisamy, A ;
Shunmugasundaram, A ;
Jeyasubramanian, K .
TRANSITION METAL CHEMISTRY, 2001, 26 (1-2) :131-135
[9]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[10]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155