3-乙基-6-对氟苯基-7H-1,2,4-三唑并[3,4-b][1,3,4]噻二嗪的合成及晶体结构  

Synthesis and Crystal Structure of 3-Ethyl-6-(4-fluorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine

作　　者：刘玉真[1] 张力学[1] 金建钰[1] 丁其春[1] 张晶[1] 

机构地区：[1]温州大学化学与材料工程学院,浙江温州325035

出　　处：《温州大学学报（自然科学版）》2008年第6期12-16,共5页Journal of Wenzhou University(Natural Science Edition)

基　　金：浙江省自然科学基金(M203149)

摘　　要：由丙酸出发制得3-乙基-4-氨基-5-巯基-1,2,4-三唑,然后在乙醇溶剂中与4-氟溴代苯乙酮反应,得到3-乙基-6-对氟苯基-7H-1,2,4-三唑并[3,4-b][1,3,4]噻二嗪,用无水乙醇培养得到单晶,并利用X-射线衍射法测定其晶体结构.晶体属单斜晶系,P21/c空间群,a=1.341 43(6)nm,b=1.309 96(11)nm,c=0.723 38(11)nm,β=105.090(2)°,Z=4,F(000)=544,R1=0.098 4.Starting with propionic acid, 3-ethyl-4-amino-5-mercapto-1,2,4-triazole was prepared, and cyclization of it with 4-fluoroacetophenone gave 3-ethyl-6-（4-fluorophenyl）-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine. The purified product was dissolved in ethanol and kept an room temperature for 6 d and colourless single crystals were formed. The structure of the title compound was determined by X-ray diffraction analysis. Crystal data： monoclinic, space group P21/c, a = 1.341 43（6）nm, b = 1.309 96（11）nm, c = 0.723 38（11）nm, β= 105.090（2）°, Z=4, F（000）=544, R1=0.098 4.

关 键 词：均三唑并噻二嗪 合成 晶体结构 

分 类 号：O623.624[理学—有机化学]