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2-[3-(4-Bromo-phenyl)-5-(4-fluoro-phenyl)-4,5-di-hydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

ABSTRACT: In the title compound, C24H17BrFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.043?Å), with all but the perpendicular fluoro-benzene ring substituents [dihedral angle = 77.9?(3)°] being very approximately coplanar [dihedral angle with the 2-thienyl ring = 19.4?(3)° and with the bromo-benzene ring = 20.3?(3)°; dihedral angle between the 2-thienyl and attached phenyl ring = 11.0?(4)°], so that the mol-ecule has a T-shape. In the crystal, supra-molecular chains along the b-axis direction are sustained by C-H?S and C-Br?? inter-actions.

SUBMITTER: Abdel-Wahab BF

PROVIDER: S-EPMC3648267 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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2-[3-(4-Bromo-phenyl)-5-(4-fluoro-phenyl)-4,5-di-hydro-1H-pyrazol-1-yl]-4-phenyl-1,3-thia-zole.

Abdel-Wahab Bakr F BF Abdel-Wahab Bakr F BF Mohamed Hanan A HA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130417 Pt 5

In the title compound, C24H17BrFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.043 Å), with all but the perpendicular fluoro-benzene ring substituents [dihedral angle = 77.9 (3)°] being very approximately coplanar [dihedral angle with the 2-thienyl ring = 19.4 (3)° and with the bromo-benzene ring = 20.3 (3)°; dihedral angle between the 2-thienyl and attached phenyl ring = 11.0 (4)°], so that the mol-ecule has a T-shape. In the crystal, supra-molecular chains along the b-axis direc ...[more]

PMID: 23723887

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