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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 被引量:2

Synthesis and Crystal Structure of 4-Phenyl-2- (p-methoxy)phenyl-1,5-benzothiazepine-α,α-dimethyl-β-lactam
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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)
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 benzothiazepine, -lactam, crystal structure, synthesis
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