(NE,N'E)-N,N'-(1,4-phenylenebis-(methan-1-yl-1-ylidene))bis(2,3,4,5,6-pentafluorobenzenamine) | 1365090-73-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (NE,N'E)-N,N'-(1,4-phenylenebis-(methan-1-yl-1-ylidene))bis(2,3,4,5,6-pentafluorobenzenamine)
• 英文别名: E,E-1,4-bis[2-(2,3,4,5,6-pentafluorophenyl)-2-azaethenyl]benzene
• CAS: 1365090-73-8
• 化学式: C₂₀H₆F₁₀N₂
• 分子量: 464.265
• InChiKey: NLTHHTWHLVBKBU-JHSDGAPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.58
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2,3,4,5,6-五氟苯胺 、 对苯二甲醛 以 乙醇 为溶剂， 以84%的产率得到(NE,N'E)-N,N'-(1,4-phenylenebis-(methan-1-yl-1-ylidene))bis(2,3,4,5,6-pentafluorobenzenamine)
  参考文献：
  名称：

  通过氟取代的氮杂二苯乙烯基苯中的氮取代活化和失活氟合成子†

  摘要：

  的三个导数 E，E -1,4-双[2-（2,3,4,5,6-五氟苯基）乙烯基]苯，其中两个在乙烯基间隔基中带有氮原子，而在第三个中，中心苯环被吡嗪部分取代。已经使用单晶X射线衍射研究了所得四种化合物的超分子结构，以测量氮原子位置对固态分子组织的影响。根据涉及氟和氮原子的分子间相互作用分析了晶体堆积模式，即，CH⋯F，F⋯F，F⋯π和CH⋯N相互作用。分析表明，在三个固态结构中的两个中，氮原子的主要作用是间接的：它们自身不参与分子间的接触，但会激活氟合成子中附近的氢原子和苯环以形成新的相互作用。

  DOI：

  10.1039/c0ce00319k

文献信息

• Synthesis, characterization and comparative study of a series of fluorinated Schiff bases containing different orientation CHN spacers
  作者：Wan Pang、Jing-Wei Zhao、Lei Zhao、Zhi-Kai Zhang、Shi-Zheng Zhu

  DOI：10.1016/j.molstruc.2015.04.035

  日期：2015.9

  Investigation of the crystal structures of three pairs of multi-fluorinated compounds with bridge-flipped isomeric character, which on the molecular level differ only in the orientation of the bridging bond -CH=N- connecting two larger parts of the molecule, offers a useful context for the examination and evaluation of supramolecular assembly in the case. The results show that the orientation of the bridging bond -CH=N- determines the conformation of six organic molecules 1a-b, 2a-b and 3a-b, thus further influencing intermolecular weak interactions and final supramolecular arrangements. Accordingly, each molecule of six multi-fluorinated compounds as supramolecular building block unit, via strong intermolecular interactions, including interactions between fluorine atoms and aromatic ring hydrogen atoms, between fluorine atoms, and between hydroxyl groups and fluorine atoms, as well as interaromatic pi center dot center dot center dot pi stacking interactions etc., constructs a series of different and attractive crystal packings. These results demonstrate that by changing -CH=N- orientation, we can obtain different hydrogen-bonded supramolecular structures through different interactions. (C) 2015 Elsevier B.V. All rights reserved.