[Ni(pbbm)(nip)(H2O)] | 1380343-27-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ni(pbbm)(nip)(H2O)]
• 英文别名: [Ni(5-nitroisophthalate)(1,1-(1,3-propanediyl)bis-1H-benzimidazole)(H2O)]
• CAS: 1380343-27-0
• 化学式: C₈H₃NO₆*C₁₇H₁₆N₄*H₂O*Ni
• 分子量: 562.161
• InChiKey: QURPTQZTKGMGSQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.97
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  190.54
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  nickel(II) nitrate hexahydrate 、 5-硝基异酞酸 、 1,3-bis(N-benzimidazolyl)propane 在 NaOH 作用下， 以 水 为溶剂， 以43%的产率得到[Ni(pbbm)(nip)(H2O)]
  参考文献：
  名称：

  Self-assembly of two 1D tube-like metal-organic networks based on flexible bis(benzimidazole) ligand and 5-nitroisophthalate

  摘要：

  Two new polymeric networks, [Co(pbbm)(nip)] center dot H2O (1) and [Ni(pbbm)(nip) center dot (H2O)] (2) (pbbm = 1,1-(1,3-propanediyl)bis-1H-benzimidazole, H(2)nip = 5-nitroisophthalic acid) have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. Complex 1 is an interesting one-dimensional (1D) tube-like chain utilizing [Co-2(pbbm)(2)] metallocycle as subunit. Complex 2 is also an interesting 1D tube-like chain based on [Ni-2(pbbm)(2)] loop subunit. In the title complexes, the pi-pi stacking and H-bonding interactions extend the 1D tube into 3D supramolecular framework, respectively. The structural differences between the title complexes indicate the importance of metal ions for the creation of molecular architectures. Furthermore, the luminescent properties of 1 and 2 were investigated.

  DOI：

  10.1134/s0036023612050269