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有机化学 ›› 2003, Vol. 23 ›› Issue (7): 710-713. 上一篇    下一篇

研究论文

2，3－二苯基－1，4，6－三氮杂二环[3.3.1]－2－壬烯单盐酸盐的合成及晶体结构

王虎林;薛岗林;徐媛;王兰英;王文亮;胡怀民   

  1. 西北大学化学系;陕西师范大学化学系;中国科学院化学研究所
  • 发布日期:2003-07-25

Synthesis and Crystal Structure of 2,3-Dibenzo-1,4,6-triazabicyclo [3.3.1]-2-nonenemonomuriate

Wang Hulin;Xue Ganglin;Xu Yuan;Wang Lanying;Wang Wenliang;Hu Huaimin   

  1. Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Department of Chemistry, Northwest University;Department of Chemistry, Shaanxi Normal University;Institute of Chemistry, Chinese Academy of Sciences
  • Published:2003-07-25

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在ZrOCl_2的存在下，二乙烯三氨与联苯甲酰在甲醇中回流得到2，3－二苯基 －1，4，6－三氮杂二环[3.3.1]－2－壬烯单盐酸盐。对其进行了~1H NMR，IR和 UV-vis谱表征及X射线单晶衍射结构分析。晶体属单斜晶系，P2_1/c空间群，晶胞 参数为：a=1.69341(6)nm，b=0.77564(3)nm，c=1.21000(4)nm，β=96.1880(10)° ，Z=4，D_c=1.319g·cm~(-3)。该化合物是一非平面型具有部分不饱和键的氮杂桥 二环化合物，两个六元环中，与苯环连接的六元环为半椅式构型，另一六元环为椅 式构型。

关键词: 氮杂环化合物;壬烯 P;晶体结构;质子磁共振谱法;红外分光光度法;紫外分光光度法, X射线衍射分析

The azo-cycle compound, 2,3-dibenzo-l, 4,6-triazabicyclo [3.3.1 ] - 2-nonenemonomuriate, was prepared by condensation of benzil with dienthyltriamine in methanol and in the presence of Z1OCI2, and was characterized by !H NMR, IR and UV-vis spectra. Its crystal structure was determined by X-ray diffraction analysis. The crystal belongs to monoclinic system, space group P2j/c, cell parameters: a = 1.69341(6) nm, b = 0.77564(3) nm, c = 1.21000(4) nm, /? = 96.1880(10)°, Z = 4, Dc = 1.319 g- cm"3. The compound is a non-planar aza-bicyclo compound with partial unsaturated bonds. The parent hexatomic ring is a chair conformation and the other six-member ring is a half-chair form.

Key words: NITROGEN HETEROCYCLICS;NONENE P;CRYSTAL STRUCTURE;1HNMR;IR;UV, XRD

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