Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)

organic compounds

hg5303 scheme

Acta Cryst. (2013). E69, o619    [ doi:10.1107/S1600536813008155 ]


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

Abstract: In the title compound, C26H23FN6S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The thiourea group is close to being coplanar with the pyrazole N atoms [N-N-C-S torsion angle = 176.78 (15)°], which allows for an intramolecular N-H...N hydrogen bond; the connected triazole ring is nearly coplanar with this ring [N-C-C-N = -172.65 (19)°]. There is a significant twist between the pyrazole ring and attached fluorobenzene ring [N-C-C-C = -18.8 (3)°] and a greater twist between triazole and attached tolyl ring [dihedral angle = 58.25 (14)°]. In the crystal, supramolecular chains aligned along [40,10] are consolidated by [pi]-[pi] interactions between the triazole and phenyl rings [centroid-centroid distance = 3.7053 (13) Å].

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