Crystal structure of 4-methylsulfanyl-2-(2H-tetrazol-2-yl)pyrimidine

Abstract

The title compound, C6H6N6S, crystallized with two independent molecules (AandB) in the asymmetric unit. The conformation of the two molecules differs slightly. While the tetrazole ring is inclined to the pyrimidene ring by 5.48 (7) and 4.24 (7)° in moleculesAandB, respectively, the N—C—S—C torsion angles of the thiomethyl groups differ byca180°. In the crystal, theAandBmolecules are linkedviaa C—H...N hydrogen bond. They stack along theb-axis direction forming columns within which there are weak π–π interactions present [shortest inter-centroid distance = 3.6933 (13) Å].