bis(o-phenylenediamine-N,N')copper(II)bis(tetrafluoroborate) | 118907-52-1

• 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: bis(o-phenylenediamine-N,N')copper(II)bis(tetrafluoroborate)
• 英文别名: Copper;benzene-1,2-diamine;ditetrafluoroborate
• CAS: 118907-52-1
• 化学式: C₁₂H₁₆B₂CuF₈N₄
• 分子量: 453.441
• InChiKey: JANHENCCMDVDML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  邻苯二胺 在 copper tetrafluoroborate 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成 bis(o-phenylenediamine-N,N')copper(II)bis(tetrafluoroborate)
  参考文献：
  名称：

  Restricting Chelate Ring Flipping in CuII Complexes. I. Non-Thermochromic Bis(o-phenylenediamine-N,N')copper(II) Bis(tetrafluoroborate)

  摘要：

  The title complex, [Cu(C6H8N2)(2)](BF4)(2), is the first in a series where the phenylenediamine collar restricts the flipping' of the chelate ring C atoms, which is the mechanism responsible for the thermochromic transition in N,N-diethylethylenediamine complexes. The Cu-II ion has tetragonally distorted octahedral geometry, with four short equatorial Cu-N bonds [2.023(3) and 1.990(3) Angstrom] and two long mutually trans axial Cu...F interactions [2.546(2) Angstrom]. The features of the molecular packing, namely the shorter metal-to-anion contacts and the stronger N-H...F hydrogen bonds compared with those in the thermochromic analogues, seem to be associated with non-thermochromic behaviour.

  DOI：

  10.1107/s0108270196007354