Acta Crystallographica Section E (May 2010)

(E)-4-[(4-Fluorobenzylidene)amino]-3-[1-(4-isobutylphenyl)ethyl]-1-(morpholinomethyl)-1H-1,2,4-triazole-5(4H)-thione methanol hemisolvate

  • Jia Hao Goh,
  • Hoong-Kun Fun,
  • A. C. Vinayaka,
  • B. Kalluraya

DOI
https://doi.org/10.1107/S1600536810015217
Journal volume & issue
Vol. 66, no. 5
pp. o1233 – o1234

Abstract

Read online

In the title compound, C26H32FN5OS·0.5CH4O, the methyl group of the methanol solvent molecule is disordered over two sites with equal occupancies and the solvent is further disordered about a crystallographic twofold rotation axis. The organic molecule exists in a trans configuration with respect to the acyclic C=N bond. An intramolecular C—H...S hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. The essentially planar 1,2,4-triazole ring [maximum deviation = 0.013 (2) Å] forms dihedral angles of 11.21 (10) and 67.53 (11)°, respectively, with the fluorophenyl unit and the isobutyl-substituted benzene ring. The crystal structure is stabilized by a weak intermolecular C—H...π interaction.