[Cd(2,2'-biimidazole)2(H2O)2](terephthalic acid(2-)) | 876666-14-7

• 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: [Cd(2,2'-biimidazole)2(H2O)2](terephthalic acid(2-))
• 英文别名: [Cd(H2biim)2(H2O)2](BDC)；cadmium(2+);2-(1H-imidazol-2-yl)-1H-imidazole;terephthalate;dihydrate
• CAS: 876666-14-7
• 化学式: C₈H₄O₄*C₁₂H₁₆CdN₈O₂
• 分子量: 580.839
• InChiKey: YWMGWNFDSOEBFB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.64
• 重原子数：
  35
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  197
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  联咪唑 、 cadmium(II) acetate dihydrate 、 对苯二甲酸 以 水 为溶剂， 以21%的产率得到[Cd(2,2'-biimidazole)2(H2O)2](terephthalic acid(2-))
  参考文献：
  名称：

  Supramolecular architectures of cadmium(II) built of 2,2′-biimmidazole and bifunctional carboxylates: Syntheses, crystal structure and properties

  摘要：

  A series of four new supramolecular complexes of cadmium(II), {[CdBr(H(2)biim)(PyCO2)(H2O)](H2O)}infinity(1) (H(2)biim = 2,2'-biimidazole, PyCO2 = isonicotinate), [Cd(H(2)biim)(2)(HBDC)(2)](2) (H2BDC = terephthalic acid), [Cd(H(2)biim)(2)(H2O)(2)](BDC) (3) and [Cd(H(2)biim)(2) (H2O)(2)](PyCO2)(2) (.) 4H(2)O (4) have been prepared and characterized by X-ray crystallography, IR, fluorescence spectra and thermogravimetric analysis. Compound I exhibits an infinite chain-like structure through bridging isonicotinate. Strong interchain hydrogen bonds between isonicotinate and H2biim result in the robust 2-D sheet Structure, responsible for the insolubility. The similar hydrogen bonds between H(2)biim and the coordinated 1,4-bdc and complementary hydrogen bonds between monoprotonated bdc are responsible for the robust 2-D layered structure of 2 that is insoluble in aqueous solution. 1,4-Bdc becomes uncoordinated in the soluble complex 3, although it has hydrogen bonded 2-D structure as well. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.09.039