[(dicyanamido)(triethylenetetramine-κ4N)copper(II)]dicyanamide | 651025-32-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(dicyanamido)(triethylenetetramine-κ4N)copper(II)]dicyanamide
• 英文别名: Bis(dicyanamido)(triethylenetetramine-kappa^4^N)copper(II) dicyanamide；copper;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;cyanoiminomethylideneazanide
• CAS: 651025-32-0
• 化学式: C₂N₃*C₈H₁₈CuN₇
• 分子量: 341.866
• InChiKey: VNLDOQDKOKGKFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  copper diacetate 、 sodium dicyanamide 、 三乙烯四胺 以 乙醇 、 水 为溶剂， 以27%的产率得到[(dicyanamido)(triethylenetetramine-κ4N)copper(II)]dicyanamide
  参考文献：
  名称：

  Bis(dicyanamido)(diethylenetriamine-κ³N)copper(II) and (dicyanamido)(triethylenetetramine-κ⁴N)copper(II) dicyanamide

  摘要：

  Two new complexes, [Cu(C2N3)(2)(dien)] (dien is diethylenetriamine, C4H13N3), (I), and [Cu(C2N3)(trien)](C2N3) (trien is triethylenetetramine, C6H18N4), (II), have been characterized by single-crystal X-ray diffraction. Both complexes display a distorted tetragonal - pyramidal geometry. In ( I), the Cu atom is coordinated in the basal plane by three diethylenetriamine N atoms [Cu - N = 2.000 (2), 2.004 (2) and 2.025 (2) Angstrom] and one terminal N atom [Cu - N = 1.974 (2) Angstrom] from one monodentate dicyanamide group, and in the apical position by one terminal N atom [Cu - N = 2.280 (2) Angstrom] from the other monodentate dicyanamide group. In ( II), the Cu atom is surrounded by four triethylenetetramine N atoms [ Cu - N = 2.012 (2), 2.014 (2), 2.019 (2) and 2.031 (2) Angstrom in the basal plane] and a terminal N atom [Cu - N = 2.130 (2) Angstrom in the apical site] from one monodentate dicyanamide group. The other dicyanamide anion is not directly coordinated to the metal atom. In both (I) and (II), hydrogen-bond interactions between the uncoordinated terminal N atoms of two dicyanamide ions and the amine H atoms lead to the formation of three-dimensional networks.

  DOI：

  10.1107/s0108270103017621