Research Article: 5-(4-Fluoro­phen­yl)-3-[5-methyl-1-(4-methyl­phen­yl)-1H-1,2,3-triazol-4-yl]-4,5-dihydro-1H-pyrazole-1-carbothio­amide

Date Published: June 01, 2012

Publisher: International Union of Crystallography

Author(s): Bakr F. Abdel-Wahab, Ehab Abdel-Latif, Seik Weng Ng, Edward R. T. Tiekink.

http://doi.org/10.1107/S1600536812024245

Abstract

In the title compound, C20H19FN6S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The dihedral angle between the least-squares plane through the pyrazole and triazole rings is 7.59 (9)°, and the triazole and attached benzene ring form a dihedral angle of 74.79 (9)°. The thio­urea group is coplanar with the pyrazole ring [N—N—C—S torsion angle = −179.93 (11)°], which enables the formation of an intra­molecular N—H⋯N hydrogen bond. In the crystal, inversion-related mol­ecules associate via N—H⋯S hydrogen bonds and eight-membered {⋯HNCS}2 synthons feature in the crystal packing. These synthons are connected into supra­molecular chains along the a axis via N—H⋯F hydrogen bonds, and the chains are consolidated into layers in the ab plane via C—H⋯S and C—H⋯F contacts.

Partial Text

For the biological activity of pyrazolyl-1,2,3-triazoles, see: Abdel-Wahab et al. (2012a ▶); Booth & Ross (1982 ▶); Curran (1982 ▶). For a related pyrazolyl-1,2,3-triazole structure, see: Abdel-Wahab et al. (2012b ▶).

 

Source:

http://doi.org/10.1107/S1600536812024245

 

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