3-(p-Tol-yl)-4-{3-[(phenylamino)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4] thiadiazin-6-yl}sydnone

Abstract

In the title compound, C20H17N7O 2S (systematic name: 3-(4-methyl-phen-yl)-4-{3-[(phenylamino)methyl]- 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.