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

The asymmetric unit of the title compound, C(10)H(10)N(2)O, contains two crystallographically independent mol­ecules with similar geometries, which exist in the keto form. The C=O bond lengths are 1.2878 (12) Å in mol­ecule A and 1.2890 (12) Å in mol­ecule B, indicating that the compound undergoes e...

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Detalles Bibliográficos
Autores principales: Loh, Wan-Sin, Fun, Hoong-Kun, Ragavan, R. Venkat, Vijayakumar, V., Sarveswari, S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050219/
https://www.ncbi.nlm.nih.gov/pubmed/21522659
http://dx.doi.org/10.1107/S160053681005213X
Descripción
Sumario:The asymmetric unit of the title compound, C(10)H(10)N(2)O, contains two crystallographically independent mol­ecules with similar geometries, which exist in the keto form. The C=O bond lengths are 1.2878 (12) Å in mol­ecule A and 1.2890 (12) Å in mol­ecule B, indicating that the compound undergoes enol-to-keto tautomerism during the crystallization process. In mol­ecule A, the pyrazole ring is approximately planar [maximum deviation = 0.007 (1) Å] and forms a dihedral angle of 36.67 (6)° with the attached phenyl ring. In mol­ecule B, the dihedral angle formed between the pyrazole ring [maximum deviation = 0.017 (1) Å] and the phenyl ring is 41.19 (6)°. In the crystal, inter­molecular N—H⋯O hydrogen bonds link neighbouring mol­ecules into dimers generating R (2) (2)(8) ring motifs. These dimers are linked into ribbons along [101] via inter­molecular N—H⋯O hydrogen bonds, forming R (4) (2)(10) ring motifs.