(isothiocyanato)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane]copper(II) thiocyanate | 177854-96-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: (isothiocyanato)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane]copper(II) thiocyanate
• CAS: 177854-96-5
• 化学式: CNS*C₁₁H₂₄CuN₅S
• 分子量: 380.041
• InChiKey: BTACTKDMMAZRKE-UHFFFAOYSA-M

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：

  Cu(1,4,8,11-tetraazacyclotetradecane)(ClO4)2 、 potassium thioacyanate 以 水 为溶剂， 生成 (isothiocyanato)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane]copper(II) thiocyanate
  参考文献：
  名称：

  (Isothiocyanato)[(1RS,4RS,8SR,11SR)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)

  摘要：

  The crystal structure of the title compound, [Cu(NCS)-(C10H24N4)](SCN), has been determined by X-ray diffraction. A mirror plane passes through the metal atom and bisects the complex with the isothiocyanato ligand lying on the plane. The Cu-II ion is five-coordinate in a distorted square-pyramidal environment, with four amine N atoms in equatorial positions and the isothiocyanate N atom in an axial position; its coordination geometry is normal, with the equatorial Cu-N distances shorter than the axial one. The unbound SCN- counter-ion is statistically disordered.

  DOI：

  10.1107/s0108270195016519