Arfan Mohammad, Tahir M Nawaz, Khan Rasool, Iqbal Mohammad S
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):o1505. doi: 10.1107/S160053680802148X.
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 phenyl ring, and a π-π contact between the hydroxy-phenyl and phenyl rings [centroid-centroid distance = 4.687 (2) Å].
在标题化合物C(22)H(19)N(4)O(2)(+)·Cl(-)的分子中,1,2,4 - 三唑环相对于苯甲酰胺、苯胺和苯酚芳环的二面角分别为75.57 (14)°、53.23 (13)°和68.11 (13)°。分子内的C - H⋯O氢键导致形成一个非平面的十元环。在晶体结构中,分子间的O - H⋯Cl和N - H⋯Cl氢键连接这些分子。甲基与苯环之间存在C - H⋯π接触,羟基苯环与苯环之间存在π - π接触[质心 - 质心距离 = 4.687 (2) Å]。