bis[N,N'-(2-chlorobenzylidene)ethylenediamine-κ2N,N']copper(I) dichlorocuprate(I) acetonitrile solvate | 1159215-82-3

• 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[N,N'-(2-chlorobenzylidene)ethylenediamine-κ2N,N']copper(I) dichlorocuprate(I) acetonitrile solvate
• 英文别名: acetonitrile;1-(2-chlorophenyl)-N-[2-[(2-chlorophenyl)methylideneamino]ethyl]methanimine;copper(1+);dichloride
• CAS: 1159215-82-3
• 化学式: C₂H₃N*C₃₂H₂₈Cl₄CuN₄*Cl₂Cu
• 分子量: 849.464
• InChiKey: JEVIEAGLOHQYBC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  47
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙腈 、 copper(l) chloride 、 N,N'-bis-(2-chloro-1-ylmethylenebenzene)-1,2-ethanediamine 以 乙腈 为溶剂， 生成 bis[N,N'-(2-chlorobenzylidene)ethylenediamine-κ2N,N']copper(I) dichlorocuprate(I) acetonitrile solvate
  参考文献：
  名称：

  Bis[N,N′-(2-chlorobenzylidene)ethylenediamine-κ²N,N′]copper(I) dichloridocuprate(I) acetonitrile solvate

  摘要：

  The 1:1 adduct of N,N'-bis(2-chlorobenzylidene) ethylenediamine (cb(2)en) with copper(I) chloride proves to be an ionic compound with Cu-I-centred cations and anions, [Cu(C16H14Cl2N2)(2)][CuCl2]center dot CH3CN. In the cation, the Cu-I atom has a flattened tetrahedral coordination geometry, with a small bite angle for the chelating ligands, which form a double-helical arrangement around the metal centre. The anion is almost linear, as expected. The packing of the cations involves intermolecular pi-pi interactions, which lead to columns of translationally related cations along the shortest unit-cell axis, with anions and solvent molecules in channels between them.

  DOI：

  10.1107/s0108270107054960