Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



hg5293 scheme

Acta Cryst. (2013). E69, o414-o415    [ doi:10.1107/S1600536813004492 ]

3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

B. F. Abdel-Wahab, H. A. Mohamed, S. W. Ng and E. R. T. Tiekink

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 fluorobenzene 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 intramolecular 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 supramolecular chain along the c axis. Connections between chains of the type Cl...[pi] lead to a layer in the bc plane.


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