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化学学报
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化学学报 ›› 1999, Vol. 57 ›› Issue (12): 1359-1363. 上一篇    下一篇

研究论文

3-甲基-1a-(4-甲氧基苯基)-1, 1-二氯-1, 1a, 2, 3-四氢-吖丙 啶并[1, 2-d] [1, 5]苯并硫氮杂卓的合成和晶体结构

许家喜;兰若曦;金声   

  1. 北京大学化学与分子工程学院
  • 发布日期:1999-12-15

Synthesis and crystal structure of 1, 1-dichloro-1a-(4-methoxyphenyl) -3-methyl-1, 1a, 2, 3-tetrahydro-azirino[2, 1-d][1, 5] benzothiazepine

Xu Jiaxi;Lan Ruoxi;Jin Sheng   

  • Published:1999-12-15

通过2-甲基-4-(4-甲氧基苯基)-2,3-二氢-1,5-苯并硫氮杂卓与二氯卡宾的[2+1]环加成反应制备了标题化合物,用X射线单晶衍射测定了其晶体结构。分子式C~1~8H~1~7Cl~2NOS,分子量366.30,晶体属正交晶系,空间群P~b~c~a,晶胞参数:a=1.2246(3)nm,b=1.5219(4)nm,c=1.9272(9)nm,V=3.592(2)nm^3,Z=8,D~c=1.355g.cm^-^3。位于中心的1,5-硫氮杂卓环为扭曲的类船式构象,船头与苯环并合,船底与吖丙啶环并合。

关键词: 苯并硫代杂卓, 吖丙啶, 晶体结构, 环加成反应, Ｘ射线衍射分析

The title compound has been synthesized by [2+1] cycloaddition reaction of 4-(4-methoxyphenyl)-2-methyl-2, 3-dihydro-1, 5- benzothiazepine with dichlorocarbene and the crystal structure has been determined by X-ray diffraction method. The single crystals belong to orthorhombic, space group P~b~c~a with a=1.2246(3)nm, b=1. 5219(4)nm, c=1.9272(9)nm, V=3.592(2)nm^3, Z=8, D~c=1.355g.cm^-^3.

Key words: CRYSTAL STRUCTURE, CYCLOADDITION REACTION, X-RAY DIFFRACTION ANALYSIS

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