Synthesis and Crystal Structure of 1-(4-Fluorophenyl)-2-hexylthiobenzo[4,5]-furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H)-one

被引：3

作者：

胡扬根 ^{[1
,2
]}

杜士明 ^{[2
]}

李清 ^{[3
]}

丁明武 ^{[4
]}

机构：

[1] Institute of Medicinal Chemistry,Hubei University of Medicine

[2] Department of Pharmacy,Taihe Hospital of Hubei University of Medicine

[3] Department of Anesthesiology,Hubei University of Medicine

[4] Key Laboratory of Pesticide & Chemical Biology,Ministry of Education,College of Chemistry,Central China Normal University

来源：

结构化学 | 2011年 / 30卷 / 01期

关键词：

synthesis; crystal structure; 1-(4-fluorophenyl)-2-hexylthio-benzo[4; 5]furo[3; 2-d]-1; 4-triazolo[1; 5-a]pyrimidin-5(1H)-one;

D O I：

10.14102/j.cnki.0254-5861.2011.01.016

中图分类号：

O621.3 [有机合成化学];

学科分类号：

070303 ; 081704 ;

摘要：

The crystal structure of the title compound 1-(4-fluorophenyl) -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H) -one(C23H21FN4O2S,Mr = 436.5) has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854(3) ,b = 17.2678(4) ,c = 18.1828(5) ,β = 99.364(2) °,V = 4332.58(18) 3,Z = 4,Dc = 1.338,F(000) =1824,μ = 0.185 mm-1,MoKa radiation(λ = 0.71073) ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I > 2σ(I) . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5(1H) -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.

引用

页码：75 / 78

页数：4