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4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one
Loh W.-S, Fun H.-K, Ragavan R.V, ,
Published in International Union of Crystallography (IUCr)
2011
Volume: 67
   
Issue: 1
Pages: o151 - o152
Abstract
The asymmetric unit of the title compound, C10H 10N2O, contains two crystallographically independent molecules with similar geometries, which exist in the keto form. The C=O bond lengths are 1.2878 (12) Åin molecule A and 1.2890 (12) Åin 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 22(8) ring motifs. These dimers are linked into ribbons along [101] via intermolecular N - H⋯O hydrogen bonds, forming R 42(10) ring motifs.
About the journal
JournalActa Crystallographica Section E Structure Reports Online
PublisherInternational Union of Crystallography (IUCr)
ISSN16005368
Open AccessNo