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

Abstract

The title compound, C6H6N6S, crystallized with two independent mol­ecules (A and B) 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 mol­ecules A and B, respectively, the N—C—S—C torsion angles of the thio­methyl groups differ by ca 180°. In the crystal, the A and B mol­ecules are linked via a C—H⋯N hydrogen bond. They stack along the b-axis direction forming columns within which there are weak π–π inter­actions present [shortest inter-centroid distance = 3.6933 (13) Å].