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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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 |
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. |
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