4-(4-溴苯基)-9-(4-氯苯基)-2,3,6,7-四氢-6,6-甲基-4H-环戊并[b]喹啉-1,8(5H,9H)-二酮的合成和晶体结构  

Synthesis and crystal structure of 4-(4-bromophenyl)-9-(4-chlorophenyl)-2,3,6,7-tetrahydro-6,6-dimethyl-4H-cyclopenta[b]quinoline-1,8(5H,9H)-dione

作　　者：王理想 盛洁[2] 王香善[2] 

机构地区：[1]徐州瑞赛科技实业有限公司,江苏徐州221009 [2]徐州师范大学化学化工学院,江苏徐州221116

出　　处：《徐州师范大学学报（自然科学版）》2011年第4期58-62,共5页Journal of Xuzhou Normal University(Natural Science Edition)

基　　金：江苏省高校自然科学基金资助项目(08KJD150019);江苏省"青蓝工程"创新团队基金资助项目(08QLT001)

摘　　要：标题化合物是由4-氯苯甲醛、5,5-二甲基-3-(4-溴苯基)氨基-2-环己烯-1-酮和1,3-环戊二酮在离子液体中反应制得,并通过IR,1 HNMR,HRMS和元素分析加以表征.结构通过单晶X射线衍射分析确定,其晶体属于单斜晶系,空间群P2(1)/c,a=1.091 8(2)nm,b=3.325 5(7)nm,c=1.270 6(3)nm,β=96.89(3)°,Mr=993.63,V=4.579 7(16)nm3,Dc=1.441g/cm3,Z=4,μ(Mo Kα)=1.935cm-1,F(000)=2 032.晶体结构用直接法解出,使用全矩阵最小二乘法对原子参数进行修正,最后的偏离因子R1=0.098 3,wR2=0.167 5.The title compound C52H46Br2Cl2N2O4 was synthesized by the reaction of 4-chlorobenzaldehyde,3-（4-bromophenylamino）-5,5-dimethylcyclohex-2-enone and cyclopentane-1,3-dione in ionic liquid,and characterized by IR,1HNMR,HRMS and elemental analysis.Its structure was determined by single crystal X-ray diffraction.The crystal is monoclinic,space group P2（1）/c,with a=1.091 8（2） nm,b=3.325 5（7） nm,c=1.270 6（3） nm,β=96.89（3）°,Mr=993.63,V=4.579 7（16） nm3,Dc=1.441 g/cm3,Z=4,μ（Mo Kα）=1.935 cm-1,F（000）=2 032.The structure was solved by direct methods and refined by full-matrix least-squares method to the final R1=0.098 3,wR2=0.167 5.

关 键 词：喹啉 合成 离子液体 晶体结构 

分 类 号：O626.3[理学—有机化学]