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

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

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

北京大学化学与分子工程学院，北京，100871

Abstract

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, Dc=1.379g.cm^-3

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)nm³，Z=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

CLC Number:

O641

XU Jiaxi,JIN Sheng. 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[J]. Acta Scientiarum Naturalium Universitatis Pekinensis.

许家喜, 金声. 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[J]. 北京大学学报（自然科学版）.

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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

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

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