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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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 |
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. |
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