[Zn(1,1'-(1,3-propane)bis-(2-methylbenzimidazole))(5-methylisophthalic acid-H2)]n | 1612264-49-9

• 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: [Zn(1,1'-(1,3-propane)bis-(2-methylbenzimidazole))(5-methylisophthalic acid-H2)]n
• 英文别名: [Zn(1,1'-(1,3-propane)bis-(2-methylbenzimidazole))(5-methylisophthalic acid-H₂)]_n；[Zn(pbmb)(mip)]_n
• CAS: 1612264-49-9
• 化学式: C₉H₆O₄*C₁₉H₂₀N₄*Zn
• 分子量: 547.929
• InChiKey: AOKOQDHHGREEFC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  37.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  115.9
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 5-甲基间苯二酸 、 1,1'-(1,3-propane)bis(2-methylbenzimidazole) 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 以52%的产率得到[Zn(1,1'-(1,3-propane)bis-(2-methylbenzimidazole))(5-methylisophthalic acid-H2)]n
  参考文献：
  名称：

  Self-assembly of three d10 metal coordination polymers based on a flexible bis(2-methylbenzimidazole) and dicarboxylate co-ligands

  摘要：

  Hydrothermal self-assembly of zinc nitrate with 1,1'-(1,3-propane)bis-(2-methylbenzimidazole) (pbmb) and different dicarboxylic acid ligands gave rise to three new coordination polymers [Zn(pbmb)(hmph)](n) (1), {[Zn-2(pbmb)(chdc)(2)]center dot 0.5H(2)O}(n) (2), [Zn(pbmb)(mip)](n) (3) (H(2)hmph = homophthalic acid, H(2)chdc = 1,4-cyclohexanedicarboxylic acid and H(2)mip = 5-methylisophthalic acid). Both complexes 1 and 3 possess 2D {6(3)} framework and further extend into 3D supramolecular network via C-H center dot center dot center dot O hydrogen bonding or pi-pi stack interactions. While 2 is a 1D double loop-like chain structure, which arranged into a 2D network through C-H center dot center dot center dot O hydrogen bonding interactions. Three compounds all exhibit strong photoluminescence at room temperature in solid state and may be good candidates for potential luminescence materials. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.04.037