高等学校化学学报

高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (6): 618.

• 论文 • 上一篇    下一篇

二苯并-18-冠-6-硝化产物异构体的分离及顺式化合物的结构测定

杨光弟1, 孙允秀2, 张惠祥2, 张辉2   

  1. 1. 吉林大学理论化学研究所;
    2. 吉林大学化学系
  • 收稿日期:1986-12-05 出版日期:1988-06-24 发布日期:1988-06-24
  • 通讯作者: 杨光弟

Isomer Seperation of Dibenzo-18-Crown-6 Nitration and Structure Determination of the Cis Product

Yang Guangdi1, Sun Yunxiu2, Zhang Huixiang2, Zhang Hui2   

  1. 1. Institute of Theoretical Chemistry of Jilin University, Changchun;
    2. Department of Chemistry of Jilin University, Changchun
  • Received:1986-12-05 Online:1988-06-24 Published:1988-06-24

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摘要： 在改进的条件下,二苯并-18-冠-6硝化反应的产率达90%以上。提出一种分离二硝基二苯并-18-冠-6的顺、反异构体的方法。反应产物经元素分析和红外光谱鉴定,异角X射线衍射法测定了顺式二硝基二苯并-18-冠-6的晶体结构。晶体空间群为P21/n,α=15.95i(7)Å,b=20.411(9)Å,c=8.173(4)Å,β=101.09(4)°,Z=4。结构用直接法解出,R=0.067。

关键词: 顺式二硝基二苯并-18-冠-6, 异构体分离, 结构测定

Abstract: Under the improved condition, the dibenzo-18-crown-6 can be nitrated with production rate over 90 per cent. In addition, we proposed a method by which the cis-dinitro-dibenzo-18-crown-6 can be easely separated from its trans isomer. By combining elemental analysis, infrared and X-ray diffraction results, the molecular and crystal structure of cis-dinitro-dibenzo-18-crown-6 has been determined. The crystals belong to monoclinic space group P21/n, with a= 15.985(7), 6 = 20.411(9), c = 8.173(4)Å, β=101.09(4)°, Z = 4. The structure was solved by direct methods and refined to convergence with final Rvalue of 0.067.

Key words: Cis-NDBC, Isomer seperation, Structure determination

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