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Title: | 3-(2-Benzamidophenyl)-4-(4-hydroxyphenyl)-5-methyl-4H 1,2,4-triazol-1-ium chloride |
Authors: | Arfan, Mohammad Tahir, M. Nawaz Khan, Rasool Iqbal, Mohammad S. |
Keywords: | single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A˚; R factor = 0.035; wR factor = 0.098; data-to-parameter ratio = 10.3. |
Issue Date: | 2008 |
Publisher: | Acta Crystallographica Section E: Structure Reports Online |
Citation: | Arfan, Mohammad, et al. "3-(2-Benzamidophenyl)-4-(4-hydroxyphenyl)-5-methyl-4H-1, 2, 4-triazol-1-ium chloride." Acta Crystallographica Section E: Structure Reports Online 64.8 (2008): o1505-o1505. |
Abstract: | In the molecule of the title compound, C22H19N4O2 + 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 intra molecular 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 contact between the methyl group and the phenyl ring, and a – contact between the hydroxyphenyl and phenyl rings [centroid–centroid distance = 4.687 (2) A |
URI: | http://202.142.177.21/handle/123456789/2204 |
Appears in Collections: | Chemistry Department |
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AC(E)2008.pdf | 273.24 kB | Adobe PDF | View/Open |
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