Crystal structure of 4-[(E)-(4-fluoro-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The title compound, C10H9FN4S, crystallizes with two mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluoro-benzene rings is 7.3 (3)° in mol-ecule A and 41.1 (3)° in mol-ecule B. Mol-ecule A features an intra-molecular C-H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N-H⋯S hydrogen bonds occur, generating R 2 (2)(8) loops. Weak π-π stacking contacts [centroid-centroid separation = 3.739 (6) Å] are also observed.

SUBMITTER: Manjula PS 

PROVIDER: S-EPMC4719876 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature