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