2-Phenyl-5-(trifluoro-meth-yl)pyrazol-3(2H)-one.

Autor: Gallardo H; Depto. de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC, Brazil., Girotto E, Bortoluzzi AJ, Terra GG
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2009 Jul 29; Vol. 65 (Pt 8), pp. o2040-1. Date of Electronic Publication: 2009 Jul 29.
DOI: 10.1107/S1600536809029419
Abstrakt: 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).
Databáze: MEDLINE