2,2,7,7-四甲基-5,6-二氧代-9-(2-氯苯基)-10-(4-甲基苯基)-9,10-二氢-2H-吖啶的合成和晶体结构  

Synthesis and Crystal Structure of 2,2,7,7-Tetramethyl-5,6-dioxo-9-(2-chlorophenyl)-10-(4-methylphenyl)-9,10-dihydro-2H-acridine

作　　者：王香善[1] 史达清[1] 屠树江[1] 姚昌盛[1] 

机构地区：[1]徐州师范大学化学系,江苏徐州221116

出　　处：《Chinese Journal of Structural Chemistry》2004年第1期91-94,共4页结构化学（英文）

基　　金：江苏省自然科学基金(BK2001142);江苏省教育厅自然科学基金(01KLB150008)资助项目

摘　　要：标题化合物2，2，7，7-四甲基-5，6-二氧代-9-(2-氯苯基)-10-(4-甲基苯基)-9，10-二氢-2H-吖啶(C30H32CINO2，Mr=474．02)是由邻氯苯甲醛和5，5-二甲基-1，3-环己二酮和对甲基苯胺以乙二醇作溶剂在微波辐射下而得到的。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P21／c，a=12．048(3)，b=11．044(2)，C=19．989(5)(A°)，β=101．42(2)°，Z=4，V=2607(1)(A°)^3，Dc=1．208g／cm^3，μ(MoKα)=0．173mm^-^3，F(000)=1008，R=0．0450，wR=0．0869。X-射线衍射分析表明：原子C(8)，C(13)，C(14)，C(15)，C(20)和N形成1个六员环，采用船式构象，六员环C(8)～C(13)和C(15)～C(20)采用半椅式构象。The title compound (C30H32ClNO2, Mr = 470.02) has been synthesized by the reaction of 2-chloro- benzaldehyde, 5,5-dimethyl-1,3-cyclohexanedione and p-toluidine in ethyleneglycol under microwave irradi- ation, and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P21/c with a = 12.048(3), b = 11.044(2), c = 19.989(3) ? b = 107.78(2), Z = 4, V = 2607(1) ?, Dc = 1.208 g/cm3, m(MoKa) = 0.173 mm-1, F(000) = 1008, R = 0.0450 and wR = 0.0869. X-ray analysis reveals that the C(8), C(13), C(14), C(15), C(20) and N atoms form a six-membered ring which adopts boat conformation. The six-membered rings of C(8)~C(13) and C(15)~C(20)) are of half-chair conformation.

关 键 词：2 2 7 7-四甲基-5 6-二氧代-9-(2-氯苯基)-10-(4-甲基苯基)-9 10-二氢-2H吖啶 合成 晶体结构 邻氯苯甲醛 5 5-二甲基-1 3-环己二酮 对甲基苯胺 船式构象 半椅式构象 

分 类 号：O626[理学—有机化学]