2-Phenyl-5-(trifluoro-meth-yl)pyrazol-3(2H)-one.
作者信息
Gallardo Hugo, Girotto Edivandro, Bortoluzzi Adailton J, Terra Geovana G
机构信息
Depto. de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC, Brazil.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2040-1. doi: 10.1107/S1600536809029419.
Abstract
The title compound, C(10)H(7)F(3)N(2)O, is an analogue of pyrazolone derivatives with potential analgesic and anti-inflammatory properties. Its mol-ecular structure consists of phenyl and pyrazol-3(2H)-one units with a dihedral angle between the mean planes of the rings of 33.0 (1)°. The crystal structure is stabilized by an inter-molecular hydrogen bond between the N-H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the mol-ecules into supra-molecular C(5) chains along [001] and by weak π-π stacking inter-actions between the phenyl rings [centroid-centroid distance = 3.881 (2) Å]. The F atoms are disordered over two positions with refined site occupancies of 0.768(11) and 0.232(11).
摘要
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