Acta Scientiarum Naturalium Universitatis Pekinensis

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Synthesis and Crystal Structure of 5-(2-bromophenyl)-1, 3, 3a-triphenyl-3a, 4, 5, 11-tetrahydro-3H-1, 2, 4-triazolo[4, 3-d][1, 5]benzothiazepine

XU Jiaxi, JIN Sheng   

  1. College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871
  • Received:1997-06-02 Online:1998-07-20 Published:1998-07-20

1, 3, 3a-三苯基-5-(2-溴苯基)-3a, 4, 5, 11-四氢-3H-1, 2, 4-三唑并[4, 3-d][1, 5]苯并硫氮杂的合成和晶体结构

许家喜, 金声   

  1. 北京大学化学与分子工程学院,北京,100871

Abstract: Title compound has been synthesized by [2+3] cycloaddition reaction of 2-bromophenyl-4-phenyl-2, 3-dihydro-1, 5-benzothiazepine and phenyl nitrile imine and its crystal structure has been determined by X-ray diffraction method. The single crystals belong to triclinic, space group P1 with a=0.9045(2)nm, b=1.2526(2)nm, c=1.4054(2)nm, (α) =68.08(2)o, (β)=73.70(2)o, (γ)=85.39(2)o, V=1.416(1)nm3, Z=2,

Key words: 3a, 11-tetrahydro-3H-1, 4-triazolo[4, 3-d][1, 5]benzothiazepine, crystal structure

摘要: 通过4-苯基-2-溴苯基-2, 3-二氢-1, 5-苯并硫氮杂 与苯基腈亚胺的[2+3]环加成反应制备了标题化合物,用X射线单晶衍射仪测定了其晶体结构。晶体属三斜晶系,P1, 晶胞参数:a=0.9045(2)nm, b=1.2526(2)nm, c=1.4054(2)nm, α=68.08(2)°,β=73.70(2)°,γ=85.39(2)°,V=1.416(1)nm3Z=2,Dc=1.379g·cm-3

关键词: 3a, 11-四氢-3H-1, 4-三唑并[4, 3-d][1, 5]苯并硫氮杂, 晶体结构

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