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  • Title: 4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-ethyl-piperazine-1-carboxamide.
    Author: Shahani T, Fun HK, Vijayakumar V, Ragavan RV, Sarveswari S.
    Journal: Acta Crystallogr Sect E Struct Rep Online; 2011 Jul 01; 67(Pt 7):o1747-8. PubMed ID: 21837133.
    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 π-π inter-action with a centroid-centroid distance of 3.6610 (8) Å and by C-H⋯π inter-actions.
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