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

Autor: Andreas Thomann, Volker Huch, Rolf W. Hartmann
Jazyk: angličtina
Rok vydání: 2015
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp o1051-o1052 (2015)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989015023634
Popis: 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].
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