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3-(4-Chloro-phen-yl)-5-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.

ABSTRACT: In the title compound, C16H13ClFN3S, the pyrazole ring adopts an envelope conformation with the methine C atom being the flap atom. The chloro- and fluoro-benzene rings are twisted out of the plane of the pyrazole ring [dihedral angles = 15.12?(11) and 80.55?(10)°, respectively]. The amine group is orientated towards a ring N atom, forming an intra-molecular N-H?N hydrogen bond. This H atom also forms a hydrogen bond to the F atom, which along with N-H?S hydrogen bonding leads to a supra-molecular chain along the c axis. Connections between chains of the type Cl?? lead to a layer in the bc plane.

SUBMITTER: Abdel-Wahab BF

PROVIDER: S-EPMC3588515 | biostudies-other | 2013 Mar

REPOSITORIES: biostudies-other

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3-(4-Chloro-phen-yl)-5-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.

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 20130220 Pt 3

In the title compound, C16H13ClFN3S, the pyrazole ring adopts an envelope conformation with the methine C atom being the flap atom. The chloro- and fluoro-benzene rings are twisted out of the plane of the pyrazole ring [dihedral angles = 15.12 (11) and 80.55 (10)°, respectively]. The amine group is orientated towards a ring N atom, forming an intra-molecular N-H⋯N hydrogen bond. This H atom also forms a hydrogen bond to the F atom, which along with N-H⋯S hydrogen bonding leads to a supra-molecul ...[more]

PMID: 23476591

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