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

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 ?-? 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).

SUBMITTER: Gallardo H 

PROVIDER: S-EPMC2977152 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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

Gallardo Hugo H   Girotto Edivandro E   Bortoluzzi Adailton J AJ   Terra Geovana G GG  

Acta crystallographica. Section E, Structure reports online 20090729 Pt 8

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 [  ...[more]

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