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4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-ethyl-piperazine-1-carboxamide.

ABSTRACT: The asymmetric unit of the title compound, C(23)H(23)ClFN(5)O(2), contains two crystallographically independent mol-ecules. In one mol-ecule, the pyrazole ring makes dihedral angles of 43.93?(7) and 35.82?(7)°, respectively, with the fluoro- and chloro-substituted benzene rings, while the corresponding angles in the other mol-ecule are 52.26?(8) and 36.85?(7)°. The piperazine rings adopt chair conformations. In the crystal, adjacent mol-ecules are connected via inter-molecular N-H?O, C-H?F, C-H?N and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by a weak ?-? inter-action with a centroid-centroid distance of 3.6610?(8)?Å and by C-H?? inter-actions.

SUBMITTER: Shahani T 

PROVIDER: S-EPMC3151813 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-ethyl-piperazine-1-carboxamide.

Shahani Tara T   Fun Hoong-Kun HK   Vijayakumar V V   Ragavan R Venkat RV   Sarveswari S S  

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

The asymmetric unit of the title compound, C(23)H(23)ClFN(5)O(2), contains two crystallographically independent mol-ecules. In one mol-ecule, the pyrazole ring makes dihedral angles of 43.93 (7) and 35.82 (7)°, respectively, with the fluoro- and chloro-substituted benzene rings, while the corresponding angles in the other mol-ecule are 52.26 (8) and 36.85 (7)°. The piperazine rings adopt chair conformations. In the crystal, adjacent mol-ecules are connected via inter-molecular N-H⋯O, C-H⋯F, C-H⋯  ...[more]

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