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

Authors :
Andreas Thomann
Volker Huch
Rolf W. Hartmann
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp o1051-o1052 (2015)
Publication Year :
2015
Publisher :
International Union of Crystallography, 2015.

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].

Details

Language :
English
ISSN :
20569890
Volume :
71
Issue :
12
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.73f9b3c8c481483c9ce5c440b8beddb7
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989015023634