1,3,5–三嗪–2,4–二酮衍生物的合成及其晶体结构研究  

Synthesis and crystal structure of 1,3,5-triazine-2,4-dione derivatives

作　　者：李映晖[1] 陆寅 易君明[1] 郑玉国[1] 马培华[2] 陈明华[1] 

机构地区：[1]兴义民族师范学院化学生物系,贵州兴义562400 [2]贵州大学应用化学研究所,贵州省大环化学及超分子化学重点实验室,贵州贵阳550025

出　　处：《分子科学学报》2015年第5期410-414,共5页Journal of Molecular Science

基　　金：贵州省科技厅科学技术基金资助项目(黔科合J字[2012]2327);贵州省教育厅大学生创业创新项目(201310666006)

摘　　要：以尿素和4,5-二氮芴-9-酮为原料合成目标化合物,用1 H NMR、元素分析、FT-IR和X-射线单晶衍射进行了表征.晶体结构表明:化合物为单斜晶系,P21/n空间群,晶体学参数:a=0.710 89(9)nm,b=1.507 39(19)nm,c=1.344 95(16)nm,β=99.741(4)°,V=1.420 5(3)nm3,Z=4,Dc=1.591g·cm-3,Mr=339.16,μ=0.472,F(000)=696,R1=0.085 2,wR2=0.274 8[I>2σ(I)].化合物通过氢键形成三维网状结构.The 1,3,5-triazine-2,4-dione derivatives was synthesized from nucleophilic addition reaction of urea with 4,5-diazafluoren-9-one.The compounds were characterized characterized by 1 H NMR,elemental analysis,FT-IR and single crystal X-ray diffraction.The results of structural analysis indicate that the complex 1is monoclinic crystallize and space group P21/n,with the crystal cell parameters：a = 0.710 89（9）nm,b = 1.507 39（19）nm,c = 1.344 95（16）nm,β= 99.741（4）°,V=1.420 5（3）nm^3,Z=4,Dc=1.591g·cm^-3,Mr=339.16,μ=0.472,F（000）=696,R1=0.085 2,wR2=0.274 8[I 2σ（I）].The compound through hydrogen bonding to form 3Dnetwork structure.

关 键 词：尿素 4 5-二氮芴-9-酮 晶体结构 氢键 

分 类 号：O614[理学—无机化学]