4，4-二甲基-2-对甲苯基-4，5-二氢-2H-吡咯并［2，3，4-kl］吖啶-1-酮的简便合成和结构表征

摘要

The title compound (C23 H20 N2 O) was synthesized by the reaction of isatin and 5 ,5-dimethyl-3-p-tolylami-no-cyclohex-2-enone in HOAc at 110 ℃ under microwave irradiation .The structure of title product was determined by single crystal X-ray diffraction .The crystal is triclinic ,space group P 1 ,with Mr =340.41 , a=0.978 43 (14) nm ,b=1.002 76(15) nm ,c=1.029 60(16) nm ,V =0.881 7(2) nm3 ,Z=2 ,Dc =1.282 Mg · m -3 ,μ=0.079 mm -1 ,F(000)=360 .The structure was solved by direct methods and refined by full-matrix least squares method to the final R=0.048 2 ,Rw =0.101 6 .X-ray analysis reveals that the formation of new pyridine ring and pyrrole ring in the crystal structure are plane structure .%在醋酸溶剂中，以靛红和5，5-二甲基-3-对-甲苯基氨基-环己-2-烯酮为原料，110℃微波辐射下较高产率地合成吡咯并[2，3，4-kl]吖啶-1-酮类化合物．其结构通过单晶X射线衍射法确定，晶体属三斜晶系，空间群 P 1，Mr＝340.41，晶胞参数 a＝0.97843（14） nm ，b＝1.00276（15） nm ，c＝1.02960（16） nm ，V＝0.8817（2） nm3，Z＝2，晶胞密度 Dc＝1.282 Mg · m -3，吸收系数μ＝0.079 mm -1，单胞中电子的数目F（000）＝360．晶体结构用直接法解出，经全矩阵最小二乘法对原子参数进行修正，最终的偏离因子 R＝0.0482， Rw ＝0.1016．在晶体结构中新形成的吡咯与吡啶杂环近似于平面结构．