[Cu(4,4'-biphenyldicarboxylic acid-2H)(1,10-phenanthroline)(H2O)]n | 796027-66-2

• 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: [Cu(4,4'-biphenyldicarboxylic acid-2H)(1,10-phenanthroline)(H2O)]n
• 英文别名: [Cu(bpdc)(phen)(H2O)]n
• CAS: 796027-66-2
• 化学式: C₁₂H₈N₂*C₁₄H₈O₄*Cu*H₂O
• 分子量: 501.985
• InChiKey: BGINXVXSYPEOGP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  34.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 copper(II) acetate monohydrate 、 檀香(SANTALUMALBUM)提取物 在 NaOH 作用下， 以 水 为溶剂， 生成 [Cu(4,4'-biphenyldicarboxylic acid-2H)(1,10-phenanthroline)(H2O)]n
  参考文献：
  名称：

  Hydrothermal syntheses and crystal structures of two 4,4′-biphenyldicarboxylate copper(II) complexes with 1,10-phenanthroline

  摘要：

  Two structurally diverse compounds, [Cu(Hbpdc)(2)(phen)] (1) and [Cu(bpdc)(phen)(H2O)](n) (2) (H(2)bpdc = 4,4-biphenyldicarboxylic acid, phen = 1,10-phenanthroline), were synthesized under hydrothermal conditions. Copper atom in 1 is four-coordinated to one bidentate phen ligand and two monodentate partly deprotonated 4,4'-biphenyldicarboxylates. As expected, the structure of 1 is a monomeric species and affords an extended two-dimensional hydrogen bonding architecture. Each copper atom in 2 is five-coordinated to one phen, one water molecule. and two bis-monodentate fully deprotonated 4,4'-biphenyldicarboxylates. Therefore, the structure of 2 is a one-dimensional chain. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.05.012