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3-(2-Benzamido-phen-yl)-4-(4-hydroxy-phen-yl)-5-methyl-4H-1,2,4-triazol-1-ium chloride.

ABSTRACT: In the mol-ecule 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 intra-molecular C-H?O hydrogen bond results in the formation of a non-planar ten-membered ring. In the crystal structure, inter-molecular O-H?Cl and N-H?Cl hydrogen bonds link the mol-ecules. There is a C-H?? contact between the methyl group and the phenyl ring, and a ?-? contact between the hydroxy-phenyl and phenyl rings [centroid-centroid distance = 4.687?(2)?Å].

SUBMITTER: Arfan M 

PROVIDER: S-EPMC2962132 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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3-(2-Benzamido-phen-yl)-4-(4-hydroxy-phen-yl)-5-methyl-4H-1,2,4-triazol-1-ium chloride.

Arfan Mohammad M   Tahir M Nawaz MN   Khan Rasool R   Iqbal Mohammad S MS  

Acta crystallographica. Section E, Structure reports online 20080716 Pt 8

In the mol-ecule 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 intra-molecular C-H⋯O hydrogen bond results in the formation of a non-planar ten-membered ring. In the crystal structure, inter-molecular O-H⋯Cl and N-H⋯Cl hydrogen bonds link the mol-ecules. There is a C-H⋯π contact between the methyl group and the  ...[more]

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