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3-(p-Tolyl)-4-{3-[(phenylamino)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}sydnone
In the title compound, C(20)H(17)N(7)O(2)S (systematic name: 3-(4-methylphenyl)-4-{3-[(phenylamino)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), the 3,6-dihydro-2H-1,3,4-thiadiazine ring adopts a half-boat conformation. The oxadiazol-3-ium ring makes...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099773/ https://www.ncbi.nlm.nih.gov/pubmed/21754026 http://dx.doi.org/10.1107/S1600536811010786 |
Sumario: | In the title compound, C(20)H(17)N(7)O(2)S (systematic name: 3-(4-methylphenyl)-4-{3-[(phenylamino)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), the 3,6-dihydro-2H-1,3,4-thiadiazine 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 molecules are linked via intermolecular 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 interactions. An intramolecular C—H⋯O hydrogen bond is also observed, which generates an S(6) ring motif. |
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