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4-[3-(Phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(p-tolyl)sydnone
In the title triazolothiadiazine derivative, C(20)H(16)N(6)O(3)S {systematic name: 3-(4-methylphenyl)-4-[3-(phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intramolecular C—H⋯O hydrogen bond. The 3,6-dihydro...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007409/ https://www.ncbi.nlm.nih.gov/pubmed/21588457 http://dx.doi.org/10.1107/S1600536810029910 |
Sumario: | In the title triazolothiadiazine derivative, C(20)H(16)N(6)O(3)S {systematic name: 3-(4-methylphenyl)-4-[3-(phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intramolecular C—H⋯O hydrogen bond. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the 1,2,3-oxadiazole and 1,2,4-triazole rings is 46.45 (14)°. The 1,2,3-oxadiazole ring is inclined at dihedral angle of 59.49 (13)° with respect to the benzene ring attached to it. In the crystal structure, intermolecular C—H⋯O and C—H⋯N hydrogen bonds link neighbouring molecules into two-molecule-thick arrays parallel to the bc plane. A short S⋯O interaction [2.9565 (19) Å] also occurs. |
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