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化学学报
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化学学报 ›› 1988, Vol. 46 ›› Issue (10): 1016-1019. 上一篇    下一篇

研究论文

5,5'-二(对甲苯基)-2,2'-联1,3,4- 二唑的晶体结构

秦元西;王明真;高振衡;姚心侃;王宏根   

  1. 南开大学化学系;南开大学中心实验室
  • 发布日期:1988-10-15

The crystal structure of 5,5'-di(p-tolyl)-2,2'-bi-1,3,4-oxadiazole

QIN YUANXI;WANG MINGZHEN;GAO ZHENHENG;YAO XINKAN;WANG HONGGEN   

  • Published:1988-10-15

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5,5'-二(取代苯基)-2,2'-联-1,3,4- 二唑化合物可用作闪烁剂、荧光增白剂、激光染料, 电子摄影光敏材料和高稳定性耐热高分子材料中间体体. 为了解它们的结构与性能关系. 研究了用X-射线单晶衍射法测定了它们 的晶体结构.

关键词: 晶体结构, Ｘ射线衍射分析, 苯 P, 联环化合物, 恶二唑 P

The title compound is monoclinic, space group P21/c with a 7.697(2), b 5.627(3), c 18.043(4) ? and b 98.65(2)? dc = 1.368 for Z = 2. Final R = 0.077 (Rw = 0.085) for 516 reflections. Atomic coordinates are given. The 2 benzene and 2 oxadiazole rings are coplanar. The bond lengths indicate that there is appreciable conjugation between the 2 oxadiazole rings and little conjugation between the benzene and oxadiazole rings. The intermol. contacts appear to be normal.

Key words: CRYSTAL STRUCTURE, X-RAY DIFFRACTION ANALYSIS, BENZENE P, LINKED RING COMPOUNDS, OXDIAZOLE P

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