catena-poly[[[triaquacopper(II)]-μ-acetylenedicarboxylato-κ2O:O''] hydrate] | 544683-39-8

• 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: catena-poly[[[triaquacopper(II)]-μ-acetylenedicarboxylato-κ2O:O''] hydrate]
• CAS: 544683-39-8
• 化学式: C₄H₆CuO₇*H₂O
• 分子量: 247.649
• InChiKey: AAVOUWSPTVUQSM-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

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 丁炔二酸 以 水 为溶剂， 生成 catena-poly[[[triaquacopper(II)]-μ-acetylenedicarboxylato-κ2O:O''] hydrate]
  参考文献：
  名称：

  [Cu{C₂(COO)₂}(H₂O)₃]·H₂O, the first copper complex of acetylenedicarboxylic acid

  摘要：

  In the title compound, catena-poly[[[triaquacopper(II)]-mu- acetylenedicarboxylato-kappa(2)O:O"] hydrate], {[Cu(C4O4)(H2O)(3)].H2O}(n), the Cu-II ion is coordinated by two monodentate carboxylate groups in trans positions and three water molecules, thus forming a fivefold coordination polyhedron that can be described as a distorted square pyramid. All atoms are located on general sites. The polyhedra are connected by bifunctional acetylenedicarboxylate ligands, to form almost linear chains parallel to [001]. Hydrogen bonds involving the non-coordinated water molecule connect these chains to form a three-dimensional framework.

  DOI：

  10.1107/s0108270103003469