Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

 

5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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

Abstract: The central pyrazole ring in the title compound, C₁₇H₁₆FN₃S, adopts an envelope conformation with the methine C atom bearing the 4-fluorophenyl substituent as the flap atom. Whereas the tolyl ring is slightly twisted out of the least-squares plane through the pyrazole ring [dihedral angle = 13.51 (11)°], the fluorobenzene ring is almost perpendicular [dihedral angle = 80.21 (11)°]. The thioamide group is almost coplanar with the N-N bond of the ring [N-N-C-N torsion angle = 1.2 (3)°] and the amine group forms an intramolecular hydrogen bond with a ring N atom. In the crystal, supramolecular double layers in the bc plane are formed via N-HS, N-HF and C-HF interactions.

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536813004194/hg5291sup0.html ] Supplementary materials
	Chemical Markup Language (CML) file (5.8 kbytes) [ doi:10.1107/S1600536813004194/hg5291Isup3.cml ] Supplementary material

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