高等学校化学学报 ›› 1998, Vol. 19 ›› Issue (7): 1070.

• 论文 • 上一篇    下一篇

1,3,3a,5-四苯基-3a,4,5,11-四氢-3H,6H-1,2,4-三唑并[4,3-d][1,5]苯并二氮杂的合成及晶体结构

许家喜1, 金声1, 张泽莹2, 麦松威2   

  1. 1. 北京大学化学与分子工程学院, 北京, 100871;
    2. 香港中文大学化学系, 香港
  • 收稿日期:1997-05-29 出版日期:1998-07-24 发布日期:1998-07-24
  • 通讯作者: 金声
  • 作者简介:许家喜,男,34岁,博士,副教授.
  • 基金资助:

    国家自然科学基金(批准号:29572034)资助课题.

Synthesis and Crystal Structure of 1,3,3a,5-Tetraphenyl-3a,4,5,11-tetrahydro-3H,6H-1,2,4-triazolobenzodiazepine

XU Jia-Xi1, JIN Sheng1, ZHANG Ze-Ying2, MAK Thomas C. W.2   

  1. 1. College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871;
    2. Department of Chemistry, The Chinese University of Hong Kong, Hong Kong
  • Received:1997-05-29 Online:1998-07-24 Published:1998-07-24

摘要: 通过2,4-二苯基-2,3-二氢-1H-1,5-苯并二氮杂与苯甲酰氯苯腙的[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。晶体属正交晶系,空间群为Fdd2.晶胞参数:a=1.7628(4)nm,b=5.7512(12)nm,c=1.0227nm,V=10.368(5)nm3,Z=16,Dc=1.262g·cm-3,μ=0.075mm-1,F(000)=4160,1139个可观测衍射点,R=0.0461,Rw=0.0560.

关键词: 3a, 4, 5, 11-四氢-3H, 6H-1, 2, 4-三唑并[4, 3-d][1, 5]苯并二氮杂, 晶体结构, 分子结构

Abstract: The title compound was synthesized by [2+3] cycloaddition reaction of 2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine and benzenecarbohydrazonic chloride and its crystal structure was determined by Xray diffraction method. The single crystals belong to orthorhombic, space group Fdd2 with a=1.7628(4) nm, b=5.7512(12) nm, c=1.0227(2) nm, V=10.368(5) nm3, Z=16, DC= 1.262 g·cm-3, μ=0.075 mm-1, F(000)=4160 for 1339 reflections, R=0.0461, RW= 0.0560.

Key words: 3a,4,5,11-Tetrahydro-3H,6H-1,2,4-triazolo[4,3-d][1,5]benzodiazepine, Crystal structure, Molecular structure

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