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

oleh: Andreas Thomann, Volker Huch, Rolf W. Hartmann

Format: Article
Diterbitkan: International Union of Crystallography 2015-12-01

Deskripsi

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].