[Zn(Hpoda)2(bpy)] | 1100055-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Zn(Hpoda)2(bpy)]
• 英文别名: [Zn(1,2-phenylenediacetic acid(-H))2(2,2'-bipyridyl)]；(2,2'-bipyridine) zinc(II) bis-(1H-1,2-phenylenediacetic), Zn(C~10~H~9~O~4~)~2~(C~10~H~8~N~2~)；zinc;2-[2-(carboxymethyl)phenyl]acetate;2-pyridin-2-ylpyridine
• CAS: 1100055-01-3
• 化学式: C₃₀H₂₆N₂O₈Zn
• 分子量: 607.935
• InChiKey: VSKDKJDVJSYABL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  181
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [Zn(Hpoda)2(bpy)] 以 neat (no solvent, solid phase) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  1D zigzag chain and 0D monomer Cd(II)/Zn(II) compounds based on flexible phenylenediacetic ligand: Synthesis, crystal structures and fluorescent properties

  摘要：

  Three novel Cd(II)/Zn(II) compounds, [Cd-2(Poda)(2)(phen)(3)(H2O)](n)center dot nEtOH center dot 3nH(2)O(1), [Zn(poda)(2)(bpy) (H2O)(n)(2) and [Zn(Hpoda)(2)(bpy)](3) (H(2)poda = 1,2-phenylenediacetic acid, phen = 1,10-phenanthroline, bpy = 2,2'-bipyridyl), have been synthesized and characterized by IR, TG, fluorescent spectrum and single-crystal X-ray diffraction techniques. In 1, poda (2-) anions link the adjacent Cd(II) centers to generate a 1D zigzag chain. Furthermore, an unprecedented four-footed "8-shaped" mixed water-ethanol (H2O)(6)(C2H5OH)(2) cluster connects four double chains based on 1D zigzag chain into 3D supramolecular architecture. By bis(chelate-monodentate) fashion of poda(2-) ligand, compound 2 exhibits 1D zigzag chains, which forming a dense zipper-like 2D structure via strong pi-pi stacking interactions. Differed from 1 and 2, compound 3 has a mononuclear motif, and displays a 3D 6-connected alpha-Po net hydrogen-bonded topology. The structure-related solid-state fluorescence spectra of compounds 1 and 2 have been determined. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.05.039
• 作为产物：
  描述：

  2,2'-联吡啶 、 zinc(II) nitrate 、 1,2-苯二乙酸 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 生成 [Zn(Hpoda)2(bpy)]
  参考文献：
  名称：

  1D zigzag chain and 0D monomer Cd(II)/Zn(II) compounds based on flexible phenylenediacetic ligand: Synthesis, crystal structures and fluorescent properties

  摘要：

  Three novel Cd(II)/Zn(II) compounds, [Cd-2(Poda)(2)(phen)(3)(H2O)](n)center dot nEtOH center dot 3nH(2)O(1), [Zn(poda)(2)(bpy) (H2O)(n)(2) and [Zn(Hpoda)(2)(bpy)](3) (H(2)poda = 1,2-phenylenediacetic acid, phen = 1,10-phenanthroline, bpy = 2,2'-bipyridyl), have been synthesized and characterized by IR, TG, fluorescent spectrum and single-crystal X-ray diffraction techniques. In 1, poda (2-) anions link the adjacent Cd(II) centers to generate a 1D zigzag chain. Furthermore, an unprecedented four-footed "8-shaped" mixed water-ethanol (H2O)(6)(C2H5OH)(2) cluster connects four double chains based on 1D zigzag chain into 3D supramolecular architecture. By bis(chelate-monodentate) fashion of poda(2-) ligand, compound 2 exhibits 1D zigzag chains, which forming a dense zipper-like 2D structure via strong pi-pi stacking interactions. Differed from 1 and 2, compound 3 has a mononuclear motif, and displays a 3D 6-connected alpha-Po net hydrogen-bonded topology. The structure-related solid-state fluorescence spectra of compounds 1 and 2 have been determined. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.05.039