4-苯基-2-对甲氧基苯基-1,5-苯并硫氮杂卓-α,α-二甲基-β-内酰胺的合成及晶体结构  

Synthesis and Crystal Structure of 4-Phenyl-2- (p-methoxy)phenyl-1,5-benzothiazepine-α,α-dimethyl-β-lactam

作　　者：刘磊[1] 张萍[1] 董玉环[2] 

机构地区：[1]河北师范大学化学系,石家庄050016 [2]唐山师范学院化学系,唐山063000

出　　处：《Chinese Journal of Structural Chemistry》2002年第5期545-548,共4页结构化学（英文）

基　　金：河北省自然科学基金资助项目(200154)

摘　　要：合成了标题化合物并测定了其晶体结构。该化合物的化学式为C26H25NO2S, Mr = 415.53。晶体为三斜晶系,P 空间群,晶胞参数为:a = 9.299(3), b = 10.134(3), c = 12.455(4) ? a = 98.457(5), b = 106.143(5), g = 103.843(5), V = 1065.7(6) 3, Z = 2, Dc = 1.295 g/cm3, F(000) = 440, m = 0.175 mm-1, R = 0.0406, wR = 0.1064。晶体结构显示,化合物中七员环呈类椅式构象,b-内酰胺环近似梯形。The title compound was synthesized by [2+2] cycloaddition reaction and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic system, space group Pīwith a = 9.299(3), b = 10.134(3), c = 12.455(4) ? a = 98.457(5), b = 106.143(5), g = 103.843(5), V = 1065.7(6) 3, Z = 2, Dc = 1.295 g/cm3, F(000) = 440, m = 0.175 mm-1, R = 0.0406 and wR = 0.1064. X-ray structure analysis shows that the conformation of seven-membered ring is of chair-like, and the four-membered ring in the -lactam is approximately planar.

关 键 词：晶体结构 合成 4-苯基-2-对甲氧基苯基-1 5-苯并硫氮杂卓-α α-二甲基-β-内酰胺 

分 类 号：O626[理学—有机化学]