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3-(2-Benzamidophenyl)-4-(4-hydroxyphenyl)-5-methyl-4H-1,2,4-triazol-1-ium chloride
In the molecule of the title compound, C(22)H(19)N(4)O(2) (+)·Cl(−), the 1,2,4-triazole ring is oriented at dihedral angles of 75.57 (14), 53.23 (13) and 68.11 (13)° with respect to the benzamide, aniline and phenol atomatic rings, respectively. An intramolecular C—H⋯O hydrogen bond results in the...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962132/ https://www.ncbi.nlm.nih.gov/pubmed/21203214 http://dx.doi.org/10.1107/S160053680802148X |
Sumario: | In the molecule of the title compound, C(22)H(19)N(4)O(2) (+)·Cl(−), the 1,2,4-triazole ring is oriented at dihedral angles of 75.57 (14), 53.23 (13) and 68.11 (13)° with respect to the benzamide, aniline and phenol atomatic rings, respectively. An intramolecular C—H⋯O hydrogen bond results in the formation of a non-planar ten-membered ring. In the crystal structure, intermolecular O—H⋯Cl and N—H⋯Cl hydrogen bonds link the molecules. There is a C—H⋯π contact between the methyl group and the phenyl ring, and a π–π contact between the hydroxyphenyl and phenyl rings [centroid–centroid distance = 4.687 (2) Å]. |
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