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

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(C30H32ClNO2,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)?b=101.42(2),Z=4,V=2607(1)3,Dc=1.208g/cm3,m(MoKa)=0.173mm-1,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。

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

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.