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3-(p-Tol-yl)-4-{3-[(phenyl-amino)-meth-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thia-diazin-6-yl}sydnone.

Authors
  • Fun, Hoong-Kun
  • Quah, Ching Kheng
  • Kalluraya, Balakrishna
Type
Published Article
Journal
Acta Crystallographica Section E Structure Reports Online
Publisher
International Union of Crystallography
Publication Date
Apr 01, 2011
Volume
67
Issue
Pt 4
Identifiers
DOI: 10.1107/S1600536811010786
PMID: 21754026
Source
Medline
License
Unknown

Abstract

In the title compound, C(20)H(17)N(7)O(2)S (systematic name: 3-(4-methyl-phen-yl)-4-{3-[(phenyl-amino)-meth-yl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), the 3,6-dihydro-2H-1,3,4-thia-diazine ring adopts a half-boat conformation. The oxadiazol-3-ium ring makes dihedral angles of 57.99 (6) and 54.48 (6)° with the phenyl and benzene rings, respectively, while the 1,2,4-triazole ring forms corresponding angles of 37.35 (6) and 73.89 (6)°. The dihedral angle between the oxadiazol-3-ium and 1,2,4-triazole rings is 21.12 (6)°. In the crystal, the mol-ecules are linked via inter-molecular N-H⋯O and C-H⋯N hydrogen bonds into a layer parallel to the (100) plane. The crystal structure is further consolidated by C-H⋯π inter-actions. An intra-molecular C-H⋯O hydrogen bond is also observed, which generates an S(6) ring motif.

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