dichloro(O-O'O''-1,3,5-cyclohexanetriol)copper(II) | 220847-17-6

• 英文名称: dichloro(O-O'O''-1,3,5-cyclohexanetriol)copper(II)
• CAS: 220847-17-6
• 化学式: C₆H₁₂Cl₂CuO₃
• 分子量: 266.611
• InChiKey: XINKRPPBUHXPKE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 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(II) choride dihydrate 、 1,3,5-环己烷三醇 以 乙醇 为溶剂， 生成 dichloro(O-O'O''-1,3,5-cyclohexanetriol)copper(II)
  参考文献：
  名称：

  Ab initio calculations and X-ray structure determinations of dichloro(O-O′-O″-1,3,5-cyclohexanetriol)copper(II) and bis(O-O′-O″-1,3,5-hexanetriol)nickel(II)

  摘要：

  The structures of CuC6H12O3Cl2, (I) and NiC12H24O6Cl2, (II) were determined using X-ray single crystal methods and Hartree-Fock SCF calculations. The copper(II) ion is coordinated to the three oxygen atoms of the cyclohexanetriol ligand and two chloride ions in a slightly distorted trigonal bipyramidal arrangement. One chloride ion and one of the three triol oxygen atoms occupy axial positions and the remaining two oxygen atoms and the second chloride ion occupy equatorial positions. In the nickel compound the two triol molecules act as tridentate ligands forming an octahedral complex ion with the chloride ions serving as counter ions. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00291-6