Zn[1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate]2(H2O)4 | 1198009-50-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Zn[1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate]2(H2O)4
• CAS: 1198009-50-5
• 化学式: C₂₂H₂₆N₄O₁₂Zn
• 分子量: 603.858
• InChiKey: QJMJMASSEAMDMF-UHFFFAOYSA-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：

  Zn[1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate]2(H2O)4 在 air 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Synthesis, Crystal Structures and Properties of Zn(II) and Cd(II) Complexes Constructed from Benzimidazolyl Carboxylic Acid

  摘要：

  Treatment of benzimidazole-substituted carboxylate ligand, 1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate (HL) with Zn(OAc)2 2H2O or Cd(NO3)2 4H2O resulted in two benzimidazole-containing complexes, [Zn(L)2(H2O)4] (1) and [Cd(L)2(H2O)4] H2O (2). The molecular structures of the two complexes have been characterized by elemental analysis, IR and single crystal X-ray diffraction. The two complexes show three-dimensional solid-state structures supported by H-bonds and - stack interactions. The thermal and fluorescence properties of both complexes have been investigated.

  DOI：

  10.1080/15533170802525837
• 作为产物：
  描述：

  sodium 1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate 、 水 、 zinc(II) acetate dihydrate 以 甲醇 、 水 为溶剂， 以63.3%的产率得到Zn[1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate]2(H2O)4
  参考文献：
  名称：

  Synthesis, Crystal Structures and Properties of Zn(II) and Cd(II) Complexes Constructed from Benzimidazolyl Carboxylic Acid

  摘要：

  Treatment of benzimidazole-substituted carboxylate ligand, 1-(carboxymethyl)-1,3-benzimidazol-3-ium-3-acetate (HL) with Zn(OAc)2 2H2O or Cd(NO3)2 4H2O resulted in two benzimidazole-containing complexes, [Zn(L)2(H2O)4] (1) and [Cd(L)2(H2O)4] H2O (2). The molecular structures of the two complexes have been characterized by elemental analysis, IR and single crystal X-ray diffraction. The two complexes show three-dimensional solid-state structures supported by H-bonds and - stack interactions. The thermal and fluorescence properties of both complexes have been investigated.

  DOI：

  10.1080/15533170802525837