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

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷

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

页码：O2990 / U1726

页数：11

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