[Zn(benzophenone-4,4'-dicarboxylate)(1,10-phenanthroline)(H2O)](n) | 820967-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Zn(benzophenone-4,4'-dicarboxylate)(1,10-phenanthroline)(H2O)](n)
• 英文别名: [Zn(bpndc)(phen)(H2O)](n)
• CAS: 820967-29-1
• 化学式: C₁₂H₈N₂*C₁₅H₈O₅*H₂O*Zn
• 分子量: 531.84
• InChiKey: VRMBMZPXZWXJMY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  154.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  [Zn(benzophenone-4,4'-dicarboxylate)(1,10-phenanthroline)(H2O)](n) 以 neat (no solvent, solid phase) 为溶剂， 生成 zinc(II) carbonate
  参考文献：
  名称：

  Hydrothermal synthesis and crystal structures of two zinc(II) coordination polymers with benzophenone-4,4′-dicarboxylic acid

  摘要：

  Two new coordination polymers, [Zn(bpndc)(4,4'-bpy)(1.5)](n)(.)0.5n(4,4'-bpy)-0.5nH(2)O (1) and [Zn(bpndc)(phen)(H2O)](n) (2) (H(2)bpndc=benzophenone-4,4'-dicarboxylic acid; 4,4'-bpy=4,4'-bipyridine; phen=1,10-phenanthroline) were synthesized by the hydrothermal reactions and characterized by single crystal X-ray diffraction, elemental analysis, IR spectrum and thermal analysis. In 1, 4,4'-bpy molecules link Zn(II) ions into one-dimensional ladders, and these ladders are bridged by bpndc(2-) ligands, resulting in an infinite two-dimensional rhombohedral network. Such rhombohedral grids interweave each other, forming a three-dimensional structure. In 2, Zn2O2 cores are interconnected by bpndc(2-) ligands to generate a one-dimensional centripede-like double-chain structure, and further assembled by O-H...O hydrogen bonds and pi-pi stacking interactions to form three-dimensional supramolecular network with one-dimensional channels. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.08.001
• 作为产物：
  描述：

  1,10-菲罗啉 、 二苯甲酮-4,4'-二甲酸 、 zinc(II) acetate dihydrate 在 (C₂H₅)3N 作用下， 以 水 为溶剂， 以52.6%的产率得到[Zn(benzophenone-4,4'-dicarboxylate)(1,10-phenanthroline)(H2O)](n)
  参考文献：
  名称：

  Hydrothermal synthesis and crystal structures of two zinc(II) coordination polymers with benzophenone-4,4′-dicarboxylic acid

  摘要：

  Two new coordination polymers, [Zn(bpndc)(4,4'-bpy)(1.5)](n)(.)0.5n(4,4'-bpy)-0.5nH(2)O (1) and [Zn(bpndc)(phen)(H2O)](n) (2) (H(2)bpndc=benzophenone-4,4'-dicarboxylic acid; 4,4'-bpy=4,4'-bipyridine; phen=1,10-phenanthroline) were synthesized by the hydrothermal reactions and characterized by single crystal X-ray diffraction, elemental analysis, IR spectrum and thermal analysis. In 1, 4,4'-bpy molecules link Zn(II) ions into one-dimensional ladders, and these ladders are bridged by bpndc(2-) ligands, resulting in an infinite two-dimensional rhombohedral network. Such rhombohedral grids interweave each other, forming a three-dimensional structure. In 2, Zn2O2 cores are interconnected by bpndc(2-) ligands to generate a one-dimensional centripede-like double-chain structure, and further assembled by O-H...O hydrogen bonds and pi-pi stacking interactions to form three-dimensional supramolecular network with one-dimensional channels. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.08.001