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5-Ethyl-4-phenyl-1H-pyrazol-3(2H)-one

The asymmetric unit of the title compound, C(11)H(12)N(2)O, consists of two crystallographically independent mol­ecules (A and B) with similar geometries. Both mol­ecules exist in a keto form, the C=O bond length being 1.286 (2) Å in A and 1.283 (2) Å in B. The dihedral angles between the pyrazole r...

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Detalles Bibliográficos
Autores principales: Loh, Wan-Sin, Fun, Hoong-Kun, Ragavan, R. Venkat, Vijayakumar, V., Venkatesh, M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051742/
https://www.ncbi.nlm.nih.gov/pubmed/21523076
http://dx.doi.org/10.1107/S1600536811001589
Descripción
Sumario:The asymmetric unit of the title compound, C(11)H(12)N(2)O, consists of two crystallographically independent mol­ecules (A and B) with similar geometries. Both mol­ecules exist in a keto form, the C=O bond length being 1.286 (2) Å in A and 1.283 (2) Å in B. The dihedral angles between the pyrazole ring and the attached phenyl ring are 43.28 (12) and 46.88 (11)°, respectively, for A and B. The ethyl unit in mol­ecule B is disordered over two positions with a site-occupancy ratio of 0.508 (5):0.492 (5). In the crystal, each of the independent mol­ecules forms a centrosymmetric dimer with an R (2) (2)(8) ring motif through a pair of N—H⋯O hydrogen bonds. These dimers are further connected into a three-dimensional network by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds. Inter­molecular C—H⋯π inter­actions are also present.