(4,4'-dibromo-2,2'-[1,3-propanediylbis(nitrilomethylidyne)]diphenolato-O,N,N',O')copper(II) | 86801-70-9

• 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: (4,4'-dibromo-2,2'-[1,3-propanediylbis(nitrilomethylidyne)]diphenolato-O,N,N',O')copper(II)
• 英文别名: [N,N'-bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II)
• CAS: 86801-70-9
• 化学式: C₁₇H₁₄Br₂CuN₂O₂
• 分子量: 501.664
• InChiKey: QJECUCVVVDPAFV-CUBOLJEZSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 N,N'-bis(5-bromosalicylidene)propane-1,3-diamine 在 三乙胺 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 0.5h， 以88%的产率得到(4,4'-dibromo-2,2'-[1,3-propanediylbis(nitrilomethylidyne)]diphenolato-O,N,N',O')copper(II)
  参考文献：
  名称：

  The copper(II) complexes with tetradentate Schiff base ligands: Synthesis, crystal structures, and computational studies

  摘要：

  Mononuclear copper(II) Schiff base complexes, Cu(BrSal(2)Pn) (I) and Cu(BrSal(2)MePn) (II), where BrSal(2)Pn = N,N'-bis(5-bromo-2-hydroxybenzylidene)propane-1,3-diamine and BrSal(2)MePn = N,N'-bis(5-bromo-2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine, have been synthesized and characterized by elemental analyses and single-crystal X-ray diffraction. Also, the optimized geometries of them have been calculated using density functional theory method (B3LYP/6-31g). Obtained structural parameters are in agreement with the experimental data. The geometry around the copper atoms display a distorted square-planner structure by coordinating with two oxygen atoms from the phenols moieties and two nitrogen atoms from the imino groups of ligands and thus established three 6-membered rings.

  DOI：

  10.1134/s1070328413020048

文献信息

• [<i>N</i>,<i>N</i>'-Bis(5-bromosalicylidene)-1,3-diaminopropane]copper(II)
  作者：M. Kabak、A. Elmali、E. Kavlakoglu、Y. Elerman、T. N. Durlu

  DOI：10.1107/s0108270199008331

  日期：1999.10.15

  The title compound, [Cu(C17H14Br2N2O2)], has a crystallographic twofold axis. The coordination geometry about the Cu-II centre is a tetrahedrally distorted square plane formed by the four-coordinate N2O2 donor set of the Schiff base imine-phenol ligand. The Cu-N and Cu-O distances are 1.967(5) and 1.914(4) Angstrom, respectively.