6-Butyl-5-(4-methylphenoxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one

被引:0
|
作者
Wang, Hong-Mei [1 ]
Deng, Shou-Heng [2 ]
Zeng, Xiao-Hua [1 ]
Chen, Ping [2 ]
Chen, Li-Li [1 ]
机构
[1] Hubei Med Univ, Inst Med Chem, Shiyan 442000, Peoples R China
[2] Hubei Med Univ, Ctr Oncol, Peoples Hosp, Shiyan 442000, Peoples R China
基金
中国国家自然科学基金; 湖北省教育厅重点项目;
关键词
D O I
10.1107/S160053681004300X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C21H21N5O2, the triazolopyrimidine ring system is essentially planar [maximum displacement = 0.021 (4) angstrom] and forms dihedral angles of 41.17 (9) and 67.99 (8)degrees with the phenyl and benzene rings, respectively. The n-butyl side chains is disordered over two positions with an ccupancy ratio of 0.77:0.23. An intramolecular C-H center dot center dot center dot O hydrogen-bonding interaction stabilizes the molecular conformation. In the crystal, molecules are linked by intermolecular C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds into a three-dimensional network. In addition, pi-pi stacking interactions involving the triazole and pyrimidine rings of adjacent molecules are observed, with centroid-centroid distances of 3.545 (1) angstrom.
引用
收藏
页码:O2990 / U1726
页数:11
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