[Cu(pyrazine-2,6-dicarboxylic acid-2H)(4,4'-bipyridine)]*H2O | 937021-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Cu(pyrazine-2,6-dicarboxylic acid-2H)(4,4'-bipyridine)]*H2O
• 英文别名: [Cu(pzda)(4,4'-bpy)]*H2O
• CAS: 937021-45-9
• 化学式: C₆H₂N₂O₄*C₁₀H₈N₂*Cu*H₂O
• 分子量: 403.841
• InChiKey: VXTAYKKIRSOPAF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.48
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  163.32
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  水 、 4,4′-联吡啶 水合物 、 copper(ll) sulfate pentahydrate 、 吡嗪-2,6-二羧酸 在 NaOH 作用下， 以 水 为溶剂， 以27%的产率得到[Cu(pyrazine-2,6-dicarboxylic acid-2H)(4,4'-bipyridine)]*H2O
  参考文献：
  名称：

  3D supramolecular network assembly and thermal decomposition of new copper(II) complexes with pyrazine-2,6-dicarboxylic acid

  摘要：

  Four new Cu(II) complexes [Cu(pzda)(2,2'-bpy)(H2O)] center dot 2.5H(2)O (1), [Cu(pzda)(phen)(H2O)] center dot HO (2), [Cu(pzda)(4,4'-bpy)] center dot H2O (3) and [Cu(pzda)(bpe)(0.5)(H2O)] (4) were synthesized by hydrothermal reactions of copper salt (acetate or sulphate) with pyrazine-2,6-dicarboxylic acid (H(2)pzda), and 2,2'-bipyridine (2,2'-bpy), 1,10-phenanthroline (phen), 4,4'-bipyridine (4,4'-bpy) or 1,2-bis(4-pyridyl)-ethane (bpe), respectively. For 1 and 2, they are both monomeric entities which are further assembled into 3D supramolecular networks by hydrogen bonds and pi-pi stacking interactions. Complex 3 has a 2"D metal-organic framework which is connected into 3D supramolecular network by hydrogen bonds. However, for 4, the bpe ligand bridges two Cu(II) ions into binuclear unit, and then the binuclear molecules are assembled into 3D supramolecular network by hydrogen bonds between the coordination water molecule and the carboxylate oxygen atoms. The thermal decomposition mechanism of complexes 1 and 2 cooperated with powder XRD at different temperatures is discussed. The results reveal that once liberation of water molecules takes place the supramolecular network of 1 and 2 collapses. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.10.023