Cargando…

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

The title compound, C(6)H(6)N(6)S, 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...

Descripción completa

Detalles Bibliográficos
Autores principales: Thomann, Andreas, Huch, Volker, Hartmann, Rolf W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719974/
https://www.ncbi.nlm.nih.gov/pubmed/26870493
http://dx.doi.org/10.1107/S2056989015023634
Descripción
Sumario:The title compound, C(6)H(6)N(6)S, 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].