节点文献

1-(4级苯氧基)-3,3-二甲基-1-(1,2,4-三氮唑-1基)-丁醉2右旋A体的晶体结构和绝对构型

THE CRYSTAL STRUCTURE AND ABSOLUTE CONFIGURATION OF (+)-1-(4-CHLOROPHENOXY)-3,3-DIMETHYL-1-(1,2,4-TRIAZOL-1-YL)-2-BUTANOL OF DIASTERCOISOMER A

  • 推荐 CAJ下载
  • PDF下载
  • 不支持迅雷等下载工具,请取消加速工具后下载。

【作者】 窦士琦姚家星李正名董丽雯

【Author】 Dou Shiqi (Institute of Biophysics,Academia Sinica,Beijing)Yao Jia Xing (Institnte of Physics,Academia Sinica,Beijing)Li Zhengming Dong Liwen (Institute of Elemento-Organis Chemistry,Nankai University)

【机构】 中国科学院生物物理研究所中国科学院物理研究所南开大学元素有机化学研究所南开大学元素有机化学研究所 北京北京天津

【摘要】 <正> 三唑醇(Triadimenol)是一种优良内吸性的广谱杀菌剂,用于处理各类作物种子时,防病效果显著。该化合物的分子式为C14H18N3OCl,化学结构式如右。其中含有两个手性碳原子,应其有四种光学异构体。据文献报导,其中的两个非对映体之间的药效有明显的差别,有效体称为A体。A体的二个对映体之间的药效以(-)-A体为最佳有效体。鉴于了解A体的一对对映体的构型,对探讨其生物活性的作用机理及共与立体构型关系方面有重要意

【Abstract】 The crystal of (+)-A Triadimenol (baytan) belongs to monoclinic system with space group C22-P21 and cell parameters a= 10.543(1) , b= 8.202(1), c= 9.778(1), β=113.048(7)°. There are two molecules in each unit cell, Z=2. The X-ray diffraction data were collected on PW-1100 four-circle diffractometer, with CuKa radition.The number of independent diffraction data amounts to 1610, of which 1524 are observable reflections. The crystal structure has been determined by direct method (RANTAN) and refined by full-matrix least-square method to R=0.065. The absolute configuration has been assigned by direct mea- surement of 18 enantiomer sensitive Bijvoet reflection pairs. X-ray structure analysis shows that absolute configuration of(+)-A triadimenol is 1R.2S, the triazole ring has an aromatic property.

  • 【文献出处】 物理化学学报 ,Acta Physico-Chimica Sinica , 编辑部邮箱 ,1987年01期
  • 【下载频次】16
节点文献中: 

本文链接的文献网络图示:

本文的引文网络