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2-[3-(4-Chloro-phen-yl)-5-(4-fluoro-phenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

ABSTRACT: In the title compound, C24H17ClFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.030?Å). With the exception of the methine-bound benzene ring, which forms a dihedral angle of 85.77?(13)° with the pyrazole ring, the remaining non-C atoms lie in an approximate plane (r.m.s. deviation = 0.084?Å) so that overall the mol-ecule has a T-shape. In the crystal, centrosymmetrically related mol-ecules are connected via ?-? inter-actions between pyrazole rings [centroid-centroid distance = 3.5370?(15)?Å] and these stack along the a axis with no specific inter-actions between them.

SUBMITTER: Abdel-Wahab BF

PROVIDER: S-EPMC3629623 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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2-[3-(4-Chloro-phen-yl)-5-(4-fluoro-phenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

Abdel-Wahab Bakr F BF Abdel-Wahab Bakr F BF Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

In the title compound, C24H17ClFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.030 Å). With the exception of the methine-bound benzene ring, which forms a dihedral angle of 85.77 (13)° with the pyrazole ring, the remaining non-C atoms lie in an approximate plane (r.m.s. deviation = 0.084 Å) so that overall the mol-ecule has a T-shape. In the crystal, centrosymmetrically related mol-ecules are connected via π-π inter-actions between pyrazole rings [centroid-centroid distance = 3.53 ...[more]

PMID: 23634110

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