3-(2-Benzamidophenyl)-4-(4-hydroxyphenyl)-5-methyl-4H- 1,2,4-triazol-1-ium  chloride

Please use this identifier to cite or link to this item: http://digitalrepository.fccollege.edu.pk/handle/123456789/1539

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
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—HO hydrogen bond results in the formation of a non-planar ten-membered ring. In the crystal structure, intermolecular O—HCl and N—HCl 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://localhost:8080/xmlui/handle/123456789/1539
ISSN:	1600-5368
Appears in Collections:	Chemistry Department

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