bis(dicyanamido)(diethylenetriamine-κ3N)copper(II) | 651025-30-8

• 分子结构分类: 有机化合物
• 英文名称: bis(dicyanamido)(diethylenetriamine-κ3N)copper(II)
• 英文别名: Bis(dicyanamido)(diethylenetriamine-kappa^3^N)copper(II)；copper;N'-(2-aminoethyl)ethane-1,2-diamine;cyanoiminomethylideneazanide
• CAS: 651025-30-8
• 化学式: C₈H₁₃CuN₉
• 分子量: 298.798
• InChiKey: KQQSRTZLOZWSOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.09
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  138
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  copper diacetate 、 sodium dicyanamide 、 二乙烯三胺 以 乙醇 、 水 为溶剂， 以35%的产率得到bis(dicyanamido)(diethylenetriamine-κ3N)copper(II)
  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