(E)-4-[(4-Fluoro-benzyl-idene)amino]-3-[1-(4-isobutyl-phen-yl)eth-yl]-1-(morpholino-meth-yl)-1H-1,2,4-triazole-5(4H)-thione methanol hemisolvate.

ABSTRACT: In the title compound, C(26)H(32)FN(5)OS·0.5CH(4)O, the methyl group of the methanol solvent mol-ecule is disordered over two sites with equal occupancies and the solvent is further disordered about a crystallographic twofold rotation axis. The organic mol-ecule exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular 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 fluoro-phenyl unit and the isobutyl-substituted benzene ring. The crystal structure is stabilized by a weak inter-molecular C-H?? inter-action.

SUBMITTER: Goh JH 

PROVIDER: S-EPMC2979111 | biostudies-other | 2010

REPOSITORIES: biostudies-other