2.50
Hdl Handle:
http://hdl.handle.net/10033/596649
Title:
Crystal structure of 4-methyl-sulfanyl-2-(2H-tetra-zol-2-yl)pyrimidine.
Authors:
Thomann, Andreas; Huch, Volker; Hartmann, Rolf W
Abstract:
The title compound, C6H6N6S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The conformation of the two mol-ecules differs slightly. While the tetra-zole ring is inclined to the pyrim-idene ring by 5.48 (7) and 4.24 (7)° in mol-ecules A and B, respectively, the N-C-S-C torsion angles of the thio-methyl groups differ by ca 180°. In the crystal, the A and B mol-ecules 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 inter-actions present [shortest inter-centroid distance = 3.6933 (13) Å].
Affiliation:
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS);Saarland University, Building A4.1, 66123 Saarbruecken, Germany.
Citation:
Crystal structure of 4-methyl-sulfanyl-2-(2H-tetra-zol-2-yl)pyrimidine. 2015, 71 (Pt 12):o1051-2 Acta Crystallogr E Crystallogr Commun
Journal:
Acta crystallographica. Section E, Crystallographic communications
Issue Date:
1-Dec-2015
URI:
http://hdl.handle.net/10033/596649
DOI:
10.1107/S2056989015023634
PubMed ID:
26870493
Type:
Article
Language:
en
ISSN:
2056-9890
Appears in Collections:
publications of the department drug design and optimization (HIPS]DDOP)

Full metadata record

DC FieldValue Language
dc.contributor.authorThomann, Andreasen
dc.contributor.authorHuch, Volkeren
dc.contributor.authorHartmann, Rolf Wen
dc.date.accessioned2016-02-18T15:35:30Zen
dc.date.available2016-02-18T15:35:30Zen
dc.date.issued2015-12-01en
dc.identifier.citationCrystal structure of 4-methyl-sulfanyl-2-(2H-tetra-zol-2-yl)pyrimidine. 2015, 71 (Pt 12):o1051-2 Acta Crystallogr E Crystallogr Communen
dc.identifier.issn2056-9890en
dc.identifier.pmid26870493en
dc.identifier.doi10.1107/S2056989015023634en
dc.identifier.urihttp://hdl.handle.net/10033/596649en
dc.description.abstractThe title compound, C6H6N6S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The conformation of the two mol-ecules differs slightly. While the tetra-zole ring is inclined to the pyrim-idene ring by 5.48 (7) and 4.24 (7)° in mol-ecules A and B, respectively, the N-C-S-C torsion angles of the thio-methyl groups differ by ca 180°. In the crystal, the A and B mol-ecules 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 inter-actions present [shortest inter-centroid distance = 3.6933 (13) Å].en
dc.language.isoenen
dc.titleCrystal structure of 4-methyl-sulfanyl-2-(2H-tetra-zol-2-yl)pyrimidine.en
dc.typeArticleen
dc.contributor.departmentHelmholtz Institute for Pharmaceutical Research Saarland (HIPS);Saarland University, Building A4.1, 66123 Saarbruecken, Germany.en
dc.identifier.journalActa crystallographica. Section E, Crystallographic communicationsen
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