1-羧甲基-3,3-二甲基-6-(对-甲基苯基)-1,2,3,4,5,6-六氢茚并[2,3-b]喹啉-5,11-二酮的微波合成和晶体结构

Synthesis and Crystal Structure of 1-Carboxymethy-6-(p-Methy-Phenyl)-1,2,3,4,5,6-Hexahydroindeno[2,3-b]Quinoline-5,11-Dione under Microwave Irradiation

标题化合物C27H25NO4以对甲基苯甲醛、5,5-二甲基-3-羧甲氨基环己-2-烯酮、1,3-茚二酮为原料,冰醋酸为溶剂,在微波辐射下合成得到.其结构通过单晶X射线衍射法确定,其晶体属三斜晶系,空间群P1,分子量Mr=427.49,晶胞参数a=0.990 0(3)nm,b=1.096 7(3)nm,c=1.308 1(3)nm,V=1.233 7(5)nm3,Z=2,晶胞密度Dc=1.275 g/m3,吸收系数μ=0.087 mm-1,单胞中电子的数目F(000)=504.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,最终的偏离因子为R=0.098 4,ωR=0.168 5.在晶体结构中吡啶环和苯环之间的二面角为88.94°.

The title compound （C27 H25 NO4） has been synthesized by the reaction of p-methyl-benzalde- hyde, 1,3-indanedione and 5,5-dimethyl-3-（carboxymethylamino） cyclohex-2-enone in acetic acid under microwave irradiation. The structure was determined by single crystal X-ray diffraction. The crystal is triclinic, space group P↑1 with a=0. 990 0（3） nm, b=1. 096 7（3） nm, c=1. 308 1（3） nm, V=1. 233 7（5） nma , Z=2, Dc=1. 275 g/cm^3 , μ=0. 087 mm^-1 , F（000）=504. The structure was solve by direct methods and refined by full-matrix least squares method to the final R=0. 098 4, wR=0. 168 5. X-ray analysis reveals that the dihedral angle between the benzol and pyridine planes is 88.94°.