(2-aminomethyl-1H-benzimidazole-κ2N2,N3)dithiocyanatocopper(II) | 741693-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: (2-aminomethyl-1H-benzimidazole-κ2N2,N3)dithiocyanatocopper(II)
• 英文别名: bis(2-aminomethyl-1H-benzimidazole-kappa^2^N^2^,N^3^)dithiocyanatocopper(II)
• CAS: 741693-05-0
• 化学式: C₁₀H₉CuN₅S₂
• 分子量: 326.893
• InChiKey: HRZUISWSWIJVLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  potassium thioacyanate 、 copper(II) choride dihydrate 、 2-(aminomethyl)benzimidazole dihydrochloride 以 水 为溶剂， 以60%的产率得到(2-aminomethyl-1H-benzimidazole-κ2N2,N3)dithiocyanatocopper(II)
  参考文献：
  名称：

  A novel thiocyanate-bridged one-dimensional chain complex: [Cu(NCS)₂(Hambi)] (Hambi is 2-aminomethyl-1H-benzimidazole)

  摘要：

  Using 2-aminomethyl-1H-benzimidazole as the ligand, a new thiocyanate-bridged copper(II) complex, namely bis(2-aminomethyl-1H-benzimidazole-kappa(2)N(2),N-3)dithiocyanatocopper(II), [Cu(NCS)(2)(C8H9N3)], has been synthesized and structurally characterized. The Cu atom is five-coordinated and exhibits a distorted square-pyramidal geometry. The thiocyanate ions (NCS-) act as either bridging or terminal ligands. The bridging NCS- ligands connect neighboring Cu atoms, constructing chains, while the terminal NCS. ligands form hydrogen bonds with amine H atoms, leading to a complicated network.

  DOI：

  10.1107/s0108270104009102