2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one

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 mol­ecular 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 str...

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Detalles Bibliográficos
Autores principales: Gallardo, Hugo, Girotto, Edivandro, Bortoluzzi, Adailton J., Terra, Geovana G.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977152/
https://www.ncbi.nlm.nih.gov/pubmed/21583705
http://dx.doi.org/10.1107/S1600536809029419
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author Gallardo, Hugo
Girotto, Edivandro
Bortoluzzi, Adailton J.
Terra, Geovana G.
author_facet Gallardo, Hugo
Girotto, Edivandro
Bortoluzzi, Adailton J.
Terra, Geovana G.
author_sort Gallardo, Hugo
collection PubMed
description 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 mol­ecular 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 inter­molecular hydrogen bond between the N—H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the mol­ecules into supra­molecular C(5) chains along [001] and by weak π–π stacking inter­actions 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).
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spelling pubmed-29771522010-12-30 2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one Gallardo, Hugo Girotto, Edivandro Bortoluzzi, Adailton J. Terra, Geovana G. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 mol­ecular 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 inter­molecular hydrogen bond between the N—H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the mol­ecules into supra­molecular C(5) chains along [001] and by weak π–π stacking inter­actions 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). International Union of Crystallography 2009-07-29 /pmc/articles/PMC2977152/ /pubmed/21583705 http://dx.doi.org/10.1107/S1600536809029419 Text en © Gallardo et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Gallardo, Hugo
Girotto, Edivandro
Bortoluzzi, Adailton J.
Terra, Geovana G.
2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one
title 2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one
title_full 2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one
title_fullStr 2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one
title_full_unstemmed 2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one
title_short 2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one
title_sort 2-phenyl-5-(trifluoro­meth­yl)pyrazol-3(2h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977152/
https://www.ncbi.nlm.nih.gov/pubmed/21583705
http://dx.doi.org/10.1107/S1600536809029419
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AT terrageovanag 2phenyl5trifluoromethylpyrazol32hone

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