Crystal structure of bis(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate

被引:0
作者
Qin, Yong-Qi
Xue, Jin-hui [2 ]
Qiao, Yuan-Biao [1 ]
Zhang, Zi-Feng [2 ]
机构
[1] Lvliang Univ, Lab Med Chem, Lvliang 033001, Shanxi, Peoples R China
[2] Lvliang Univ, Dept Chem & Chem Engn, Lvliang 033001, Shanxi, Peoples R China
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
关键词
crystal structure; 1H-1,2,4-triazole; perchloric acid; antiviral activity;
D O I
10.1107/S1600536814024829
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, 2C(9)H(9)N(3)center dot HClO4, was prepared by reaction of 1-benzyl-1H-1,2,4-triazole and HClO4 in ethanol at room temperature. The asymmetric unit consists of two molecules of 1-benzyl-1H-1,2,4-triazole and one of HClO4 molecule. The benzene and triazole rings make dihedral angles of 85.45 (8) and 84.76 (8)degrees in the two molecules. The H-atom position of the perchloric acid molecule is split over two O atoms (real peaks on difference map), with site-occupation factors of 0.5. These H atoms form two classical hydrogen bonds [2.546 (5) and 2.620 (4) angstrom] with the same N atoms in both molecules. Five intermolecular non-classical C-H center dot center dot center dot O interactions, with C center dot center dot center dot O distances in the range 3.147 (5)3.483 (5) angstrom, are found in the crystal structure.
引用
收藏
页码:O1290 / +
页数:9
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