四氢咪啶[2,1-a]并-2,3-二苯基-1,4-二氮杂-3-环己烯的合成与结构

Synthesis and Structure of Tetrahydroimidazo[2,1-a]- 2,3-diphenyl-1, 4-diazo-3-cyclohexene

对由二乙烯三胺与联苯甲酰合成的标题化合物进行了MS、IR、UV、NMR谱的表征及X射线单晶衍射结构分析.该化合物M_r=277.39,晶体属P2_1/n空间群,晶胞参数a=0.9442(2)nm,b=1.4344(4)nm,c=1.1824(3)nm.β=112.92(2)°,Z=4,D_c=1.25g·cm^(-3).晶体结构由直接法解出,1827个可观察衍射参与最小二乘法修正,最终偏差因子R=0.050.结果表明标题化合物是一非平面型,具有部分不饱和键的氮杂稠二环化合物,其母体六元环为椅式构型、五元环为半椅式构型,2个取代苯基间的夹角为73.5°.

The title compound was prepared by the condensation of benzile and diethylenetri-amine, which was characterized by IR, MS, 13C NMR and UV. The crystal structure was determined by X-ray diffraction analysis. C18H19N3, Mr = 277. 39, space group P21/n, cell parameters: a=0. 9442(2) nm, b=1.4344(4) nm, c = 1. 1824(3) nm, β=112. 94(2)°, Z = 4, Dc = 1. 25 g · cm-3. The structure was solved by direct method. Refinements of full-matrix least-squares converged to a final R = 0. 05. The compound is a non-planar molecule, in which the parent structure has two rings, a six-member and a five-member with conformations of chair and half-chair forms respectively. The dihedral angle between two substituted phenyl planes is 73. 5°.