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1-[5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one.

ABSTRACT: In the title compound, C(19)H(18)BrFN(2)O, the benzene rings form dihedral angles of 5.38?(7) and 85.48?(7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849?Å), which approximates to an envelope conformation with the -CH(2)- group as the flap. The dihedral angle between the benzene rings is 82.86?(7)°. In the crystal, C-H?F and C-H?O hydrogen bonds link the mol-ecules to form inversion dimers and together these generate chains along [011]. The crystal packing also features C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3435682 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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1-[5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one.

Fun Hoong-Kun HK Loh Wan-Sin WS Sapnakumari M M Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120808 Pt 9

In the title compound, C(19)H(18)BrFN(2)O, the benzene rings form dihedral angles of 5.38 (7) and 85.48 (7)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.0849 Å), which approximates to an envelope conformation with the -CH(2)- group as the flap. The dihedral angle between the benzene rings is 82.86 (7)°. In the crystal, C-H⋯F and C-H⋯O hydrogen bonds link the mol-ecules to form inversion dimers and together these generate chains along [011]. The crystal packing a ...[more]

PMID: 22969553

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