Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

Abstract

In the title compound, C7H8N4S2, the thiophene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs R22(8) and R22(10), are formed by N—H...S interactions. Chains of molecules running in the [101] direction are linked by weaker N—H...N interactions. The thiophene ring is involved in π–π and C—H...π interactions.

Keywords

• crystal structure
• thiophene
• polythiophene
• 1,2,4-triazole-3-thione
• disorder