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4-{3-[(2-Isopropyl-5-methylphenoxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-3-(p-tolyl)sydnone
In the title triazolothiadiazin compound, C(24)H(24)N(6)O(3)S (systematic name: 4-{3-[(2-isopropyl-5-methylphenoxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate), an intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. Th...
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/PMC3007969/ https://www.ncbi.nlm.nih.gov/pubmed/21588573 http://dx.doi.org/10.1107/S1600536810030205 |
Sumario: | In the title triazolothiadiazin compound, C(24)H(24)N(6)O(3)S (systematic name: 4-{3-[(2-isopropyl-5-methylphenoxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate), an intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The two terminal methyl groups of the isopropyl unit are disordered over two sets of positions in a 0.715 (4):0.285 (4) ratio. The mean planes formed through the major and minor disordered isopropyl units are inclined at interplanar angles of 73.1 (4) and 86.6 (8)°, respectively, with the attached phenyl ring. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The interplanar angle formed between 1,2,3-oxadiazole and 1,2,4-triazole rings is 18.80 (11)°. In the crystal, neighbouring molecules are linked into sheets lying parallel to the bc plane by C—H⋯N hydrogen bonds. Weak intermolecular π–π interactions [centroid–centroid distances = 3.2935 (11) and 3.5590 (12) Å] further stabilize the crystal structure. |
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