[[N,N-bis(2-pyridylmethyl)amino]ethanol-κ3N,N',N'']tricarbonylrhenium(I) bromide methanol solvate | 865486-37-9

• 英文名称: [[N,N-bis(2-pyridylmethyl)amino]ethanol-κ3N,N',N'']tricarbonylrhenium(I) bromide methanol solvate
• CAS: 865486-37-9
• 化学式: Br*CH₄O*C₁₇H₁₇N₃O₄Re
• 分子量: 625.493
• InChiKey: CEYSYHDUGKDSRC-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：

  2-(双-(2-吡啶甲基)-氨基)-乙醇 、 甲醇 、 (NEt4)2[rhenium(I)(bromide)3(carbonyl)3] 以 甲醇 为溶剂， 以87%的产率得到[[N,N-bis(2-pyridylmethyl)amino]ethanol-κ3N,N',N'']tricarbonylrhenium(I) bromide methanol solvate
  参考文献：
  名称：

  A new tricarbonylrhenium(I) compound incorporating the tridentate ligandN,N-bispicolyl-2-ethanolamine

  摘要：

  The title compound, {[N, N-bis(2-pyridylmethyl) amino] ethanol-kappa(3) N, N', N ''} tricarbonylrhenium( I) bromide methanol solvate, [Re(C14H17N3O)(CO)(3)] Br center dot CH4O, has been prepared in almost quantitative yield by reacting (NEt4)(2)[Re(CO)(3)Br-3] with the ligand N, N-bispicolyl-2-ethanolamine in refluxing methanol. The X-ray structure revealed that the Re(CO)(3)N-3 coordination sphere is highly distorted from octahedral geometry and that the Re(CO)(3) core is facial. The coordinated ligand forms two five-membered rings, with the pyridine rings in a butterfly formation. The OH group is not involved in metal coordination. The packing of the molecule shows a network of classical O center dot center dot center dot H - O and Br center dot center dot center dot H - O, and non-classical Br center dot center dot center dot H - C and O center dot center dot center dot H - C hydrogen bonds between the methanol solvate molecules, the metal complex cations and the bromide anions.

  DOI：

  10.1107/s0108270105009820