Acta Chimica Sinica ›› 1999, Vol. 57 ›› Issue (4): 402-408. Previous Articles     Next Articles

Original Articles

一个取代的1, 5-苯并二氮杂卓的晶体结构及构象研究

孙命;王瑾玲;缪方明;张欣;金声;谅炯   

  1. 天津师范大学晶体化学研究所;天津教育学院化学系;北京大学化学与分子工程 学院
  • 出版日期:1999-04-15 发布日期:1999-04-15

The crystal structure and conformation study of a substituted 1, 5- benzodiazepine

Sun Ming;Wang Jinling;Miao Fangming;Zhang Xin;Jin Sheng;Liang Jiong   

  • Online:1999-04-15 Published:1999-04-15

The crystal structure of 4-benzoyl-3-(o-chlorophenyl)-l- ethoxycarbonyl-1a-phenyl-1, 1a, 2, 3-tetrahydro-4H-azirino-[1, 2-a][1, 5]-benzodiazepine was determined by X-ray diffraction method. The result indicates that the conformation of the core skeleton is a twist-boat. The dynamic study was carried out using simulated annealing method. Three typical conformations were found, of which the boat conformation is the most stable one and the aromatic effect was observed.

Key words: DIAZEPAM, CRYSTAL STRUCTURE, CONFORMATION, PHYSICOCHEMICAL CHARACTERISTICS, X-RAY DIFFRACTION ANALYSIS

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