6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione

Abstract

In the molecule of the title compound, C6H7N5S, the triazole ring is planar, while the triazepine ring displays a boat conformation. The dihedral angle between the mean plane through the triazole and triazepine rings is 18.48 (8)°. In the crystal, molecules are linked into centrosymmetric dimers by N—H...N hydrogen bonds via eight-membered {...HNCN}2 synthons. Supramolecular layers in the ab plane are sustained by C—H...N and π–π interactions [inter-centroid separation between triazole rings = 3.2880 (16) Å]. Connections along the c axis occur between S atoms [S...S = 3.5972 (16) Å].

Keywords

• crystal structure
• triazole
• triazepin-8(9H)-thione
• hydrogen bonds