N-[(4-Amino-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth-yl]-4-methyl-benzamide.

ABSTRACT: In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21 (7)°. The amino group adopts a pyramidal configuration. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure and generates an S(8) ring. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O, N-H⋯S, N-H⋯N and C-H⋯S hydrogen bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic π-π stacking inter-actions [centroid-centroid distance = 3.3330 (7) Å].

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2983242 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature