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 mol-ecules (A and B) with similar geometries. Both mol-ecules 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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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2011-02, Vol.67 (Pt 2), p.o403-o404
Hauptverfasser: Loh, Wan-Sin, Fun, Hoong-Kun, Ragavan, R Venkat, Vijayakumar, V, Venkatesh, M
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Sprache:eng
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Zusammenfassung:The asymmetric unit of the title compound, C(11)H(12)N(2)O, consists of two crystallographically independent mol-ecules (A and B) with similar geometries. Both mol-ecules 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 mol-ecule 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 mol-ecules 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 inter-molecular N-H⋯O and C-H⋯O hydrogen bonds. Inter-molecular C-H⋯π inter-actions are also present.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536811001589