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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
引用本文:刘磊,张萍,李媛,董玉环.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[J].结构化学,2002,21(5):545-548.
作者姓名:刘磊  张萍  李媛  董玉环
作者单位: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
基金项目: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。

关 键 词:1  5-苯并硫氮杂卓  b-内酰胺  晶体结构  合成

Synthesis and Crystal Structure of 4-Phenyl-2-(p-methoxy)phenyl-1,5-benzothiazepine-α,α-dimethyl-β-lactam
LIU Leia,ZHANG Pinga,LI Yuana,DONG Yu-Huanb a.Synthesis and Crystal Structure of 4-Phenyl-2-(p-methoxy)phenyl-1,5-benzothiazepine-α,α-dimethyl-β-lactam[J].Chinese Journal of Structural Chemistry,2002,21(5):545-548.
Authors:LIU Leia  ZHANG Pinga  LI Yuana  DONG Yu-Huanb a
Abstract: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.
Keywords:benzothiazepine  -lactam  crystal structure  synthesis  
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