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5-(3-Fluoro-phen-yl)-1-phenyl-pyrazolidin-3-one.

ABSTRACT: In the mol-ecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92?(3)°. The pyrazolidine ring adopts an envelope conformation. An intra-molecular C-H?N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules. There are C-H?? contacts between between aromatic H atoms and the phenyl and fluorophenyl rings. A ?-? contact between phenyl rings [centroid-centroid distance = 3.926?(1)?Å] is also observed.

SUBMITTER: Liu YY

PROVIDER: S-EPMC2959324 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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5-(3-Fluoro-phen-yl)-1-phenyl-pyrazolidin-3-one.

Liu Yuan-Yuan YY Shi Hong H Chu Qing-Yan QY Zhu Hong-Jun HJ

Acta crystallographica. Section E, Structure reports online 20080906 Pt 10

In the mol-ecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92 (3)°. The pyrazolidine ring adopts an envelope conformation. An intra-molecular C-H⋯N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules. There are C-H⋯π contacts between between aromatic H atoms and the phenyl and fluoropheny ...[more]

PMID: 21201098

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