[Ni(N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane-H)Cl] | 1431528-51-6

• 英文名称: [Ni(N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane-H)Cl]
• CAS: 1431528-51-6
• 化学式: C₁₁H₁₉ClN₄NiO₃
• 分子量: 349.44
• InChiKey: FCGLUKNHBNOGMY-DSPBIFPLSA-L

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

• 作为反应物：
  描述：

  [Ni(N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane-H)Cl] 、 水 以 neat (no solvent, solid phase) 为溶剂， 反应 24.0h， 生成 {[Ni(N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane-H)Cl]₂·5H₂O}
  参考文献：
  名称：

  Stabilization of 2D water sheets in a supramolecular metal–organic Schiff base complex: Reversible structural transformation upon dehydration–rehydration

  摘要：

  A new metal-organic complex {[Ni(HL1)Cl](2)center dot 5H(2)O} has been synthesized using a Schiff base ligand H2L1 [where H2L1 = N,N'-(2-hydroxy)propylenebis(2-imino-3-oximino)butane] and characterized by single crystal X-ray crystallographic, IR and thermal studies. Structural analysis reveals that the complex crystallizes in achiral C2/c space group and it has 3D supramolecular structure. Hydrogen bonding interactions among the metal-organic moieties form 2D supramolecular sheets within the crystallographic ab-plane. These 2D sheets are packed along crystallographic c-axis with formation of 1D supramolecular channels along crystallographic a-axis and thus the complex behaves like metal-organic supramolecular host (MOSH). Five guest water molecules get stability within the supramolecular channels through hydrogen bonding interactions. Hydrogen bonding interactions among the guest water molecules produce 2D supramolecular sheets within the ab-plane with (H2O)(12) morphology. These supramolecular water sheets are of two different types: one contains only right handed helical chains and the other contains only left handed helical chains. The complex undergoes reversible structural transformation upon dehydration-rehydration. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.023
• 作为产物：
  描述：

  {[Ni(N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane-H)Cl]₂·5H₂O} 以 neat (no solvent, solid phase) 为溶剂， 反应 4.0h， 生成 [Ni(N,N′-(2-hydroxy)propylenebis(2-imino-3-oximino)butane-H)Cl]
  参考文献：
  名称：

  Stabilization of 2D water sheets in a supramolecular metal–organic Schiff base complex: Reversible structural transformation upon dehydration–rehydration

  摘要：

  A new metal-organic complex {[Ni(HL1)Cl](2)center dot 5H(2)O} has been synthesized using a Schiff base ligand H2L1 [where H2L1 = N,N'-(2-hydroxy)propylenebis(2-imino-3-oximino)butane] and characterized by single crystal X-ray crystallographic, IR and thermal studies. Structural analysis reveals that the complex crystallizes in achiral C2/c space group and it has 3D supramolecular structure. Hydrogen bonding interactions among the metal-organic moieties form 2D supramolecular sheets within the crystallographic ab-plane. These 2D sheets are packed along crystallographic c-axis with formation of 1D supramolecular channels along crystallographic a-axis and thus the complex behaves like metal-organic supramolecular host (MOSH). Five guest water molecules get stability within the supramolecular channels through hydrogen bonding interactions. Hydrogen bonding interactions among the guest water molecules produce 2D supramolecular sheets within the ab-plane with (H2O)(12) morphology. These supramolecular water sheets are of two different types: one contains only right handed helical chains and the other contains only left handed helical chains. The complex undergoes reversible structural transformation upon dehydration-rehydration. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.023