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有机化学
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有机化学 ›› 1992, Vol. 12 ›› Issue (1): 62-64. 上一篇    下一篇

研究论文

反-1,2-双[2'-(5'-苯基恶唑基)]乙烯的晶体结构

王明真;张文勤;高振衡;王宏根   

  1. 南开大学化学系;南开大学中心实验室
  • 发布日期:1992-02-25

The crystal structure of trans-1,2-bis(2'-(5'-phenyloxazolyl) ethylene

WANG MINGZHEN;ZHANG WENQIN;GAO ZHENHENG;WANG HONGGEN   

  • Published:1992-02-25

用X射线单晶衍射法测定了反-1,2-双[2'-(5'-苯基恶唑基)]乙烯(POEOP)的晶体结构,POEOP晶体属单斜晶系, 空间群为P2~1/C, a=0.8268(2), b=0.5977(2), c=1.6292(3)nm;β=100.55(2)°; v=0.7915nm~3; Z=2; d~x=1.319g/cm~3。POEOP分子具有中心对称性,它的两个苯环和两个恶唑环是彼此平行的, 但整个分子却稍有些扭曲成螺旋浆式构型。键长数据表明POEOP分子中苯环与恶唑环以及恶唑环与C'=C双键间均有很大程度共轭。

关键词: 晶体结构测定, Ｘ射线衍射分析, 乙烯 P, 恶唑 P, 构型

Sensitizers) The crystal structure of trans-1,2-bis[2'-(5'-phenyloxazolyl)]ethylene laser dye was determine by x-ray diffraction. The crystal was monoclinic and the space group was P 21/c with a = 0.8268(2), b = 0.5977(2), c = 1.6292(3), b = 100.55(2)? V = 0.7915 nm3, Z = 2, and Dx = 1.319 g/cm3. The mol. was centrosym.; the 2 benzene and 2 oxazole rings were coplanar and twisted slightly to form a propeller-shaped mol. There was appreciable conjugation between the vinyl and oxazole rings as well as the oxazole and benzene rings.

Key words: X-RAY DIFFRACTION ANALYSIS, CRYSTAL STRUCTURE DETERMINATION, ETHYLENE P, CONFIGURATION

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