Synthesis and crystal structure of 3-benzyl-5-cyclohexylamino-6-phenyl-3,6dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one

被引：0

作者：

Zhao, JF ^{[1
]}

Wang, CG ^{[1
]}

Ding, MW ^{[1
]}

机构：

[1] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China

来源：

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2005年 / 24卷 / 04期

关键词：

crystal structure; 3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one; aza-Wittig reaction; synthesis;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The title compound 3-benzyl-5-cyclohexylamino-6-phenyl-3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one (C23H24N6O, M-r = 400.48) has been synthesized by means of tandem aza-Wittig reaction, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2(1)/n with a = 6.5550(6), b = 10.3711 (10), c = 31.265(3) angstrom, beta = 93.827(2)degrees, V = 2120.8(4) angstrom(3), Z = 4, D-c = 1.254 g/cm(3), S = 1.025, mu(MoK alpha) = 0.081 mm(-1), F(000) = 848, R = 0.0576 and wR = 0.1368. X-ray analysis reveals that all ring atoms in the triazolopyrimidinone moiety are almost coplanar and the cyclohexyl ring adopts a chair conformation.

引用

页码：439 / 443

页数：5

共 12 条

[1]

ALBERT A, 1967, ADV HETEROCYCL CHEM, V39, P117

[2] ELECTRON-DIFFRACTION STUDY OF STRUCTURES OF C2H4 AND C2D4 [J].