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1-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl]}piperidin-4-one.

ABSTRACT: In the title compound, C(21)H(17)ClFN(3)O(2), the 1H-pyrazole ring makes dihedral angles of 36.73?(7), 18.73?(7) and 60.88?(8)°, respectively, with the mean planes of the chloro-phenyl, 4-oxo-piperidine and fluoro-phenyl rings. The mol-ecular structure is stabilized by an intra-molecular C-H?N hydrogen bond, which forms an S(6) ring motif. In the crystal, inter-molecular C-H?O hydrogen bonds link mol-ecules into chains along [101]. In addition, inter-molecular C-H?F hydrogen bonds with an R(2) (1)(7) ring motif connect neighbouring chains into layers parallel to the ac plane.

SUBMITTER: Shahani T

PROVIDER: S-EPMC3011612 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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1-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl]}piperidin-4-one.

Shahani Tara T Fun Hoong-Kun HK Ragavan R Venkat RV Vijayakumar V V Venkatesh M M

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title compound, C(21)H(17)ClFN(3)O(2), the 1H-pyrazole ring makes dihedral angles of 36.73 (7), 18.73 (7) and 60.88 (8)°, respectively, with the mean planes of the chloro-phenyl, 4-oxo-piperidine and fluoro-phenyl rings. The mol-ecular structure is stabilized by an intra-molecular C-H⋯N hydrogen bond, which forms an S(6) ring motif. In the crystal, inter-molecular C-H⋯O hydrogen bonds link mol-ecules into chains along [101]. In addition, inter-molecular C-H⋯F hydrogen bonds with an R(2) ( ...[more]

PMID: 21589523

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