di(aqua)bis(3,6-dioxaheptanoate)copper(II) | 334980-18-6

• 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: di(aqua)bis(3,6-dioxaheptanoate)copper(II)
• CAS: 334980-18-6
• 化学式: C₁₀H₂₂CuO₁₀
• 分子量: 365.825
• InChiKey: GYPBZHBWQRLMEV-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：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  copper carbonate hydroxide 、 2-(2-甲氧基乙氧基)乙酸 以 水 为溶剂， 生成 di(aqua)bis(3,6-dioxaheptanoate)copper(II)
  参考文献：
  名称：

  Diaquabis(3,6-dioxaheptanoato)copper(II): crystal structure and EPR characteristics

  摘要：

  The structure of the title compound has been determined by X-ray diffraction at 190 K. The complex has an all trans configuration with an elongated tetragonally distorted octahedral CuO6 chromophore. The elongated axis corresponding to the trans-Cu-O(ether) bonds. The ligand molecules are bidentate via the carboxyl and the 3-ether O atoms; the 6-ether O atoms are not coordinated and are remote from the Cu centres. The bond lengths to the Cu centres are Cu-O(ether) 2.355 Angstrom, Cu-O(Carboxyl) 1.933 Angstrom and Cu-OH, 1.995 Angstrom.The EPR spectrum of both the powder and frozen solution forms is typical of a rhombic system with a d(x2-y2)(1) electronic configuration. There were no significant differences in spectra recorded over the temperature range 77 K to room temperature. These results are discussed in relation to earlier published results on closely related oxa-carboxyl complexes. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00365-0