trans-diaquabis(4-hydroxybenzoato-O)bis(nicotonamide-N)copper(II) | 205055-88-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: trans-diaquabis(4-hydroxybenzoato-O)bis(nicotonamide-N)copper(II)
• 英文别名: [Cu(p-hydroxybenzoate)2(nicotinamide)2(H2O)2]；[Cu(p-hba)2(na)2(H2O)2]
• CAS: 205055-88-5
• 化学式: C₂₆H₂₆CuN₄O₁₀
• 分子量: 618.059
• InChiKey: MDFHNUMMDDNCCZ-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

• 作为反应物：
  描述：

  trans-diaquabis(4-hydroxybenzoato-O)bis(nicotonamide-N)copper(II) 以 neat (no solvent) 为溶剂， 生成 copper(II) oxide
  参考文献：
  名称：

  bis(nicotinamide) and bis(N,N-diethyl nicotinamide) p-hydroxybenzoate complexes of Ni(II), Cu(II) AND Zn(II)

  摘要：

  The mixed-ligand p-hydroxybenzoate complexes of Ni(II), Cu(II) and Zn(II) with nicotinamide and N, N-diethylnicotinamide were synthesized and characterized by elemental analysis, magnetic susceptibility measurements and mass spectrometry. The thermal behavior of the complexes was studied by simultaneous TG, DTG and DTA methods in static air atmosphere. The infrared spectral characteristics of the complexes are also discussed. The complexes contain two water molecules, two p-hydroxybenzoato (p-hba) and two nicotinamide (na) (or diethylnicotinamide (dena)) ligands per formula unit. In these complexes, all ligands are coordinated to the metal ion as monodendate ligands. In Zn(II)-na and Cu(II)-dena complexes, the p-hydroxybenzoate behaves as bidentate chelating ligand through carboxylic oxygen atoms. The decomposition pathways and the stability of the complexes are interpreted in the terms of the structural data. The final decomposition products were found to be the respective metal oxides.

  DOI：

  10.1023/b:jtan.0000032269.12381.42
• 作为产物：
  描述：

  sodium 4-hydroxybenzoate 以 水 为溶剂， 生成 trans-diaquabis(4-hydroxybenzoato-O)bis(nicotonamide-N)copper(II)
  参考文献：
  名称：

  bis(nicotinamide) and bis(N,N-diethyl nicotinamide) p-hydroxybenzoate complexes of Ni(II), Cu(II) AND Zn(II)

  摘要：

  The mixed-ligand p-hydroxybenzoate complexes of Ni(II), Cu(II) and Zn(II) with nicotinamide and N, N-diethylnicotinamide were synthesized and characterized by elemental analysis, magnetic susceptibility measurements and mass spectrometry. The thermal behavior of the complexes was studied by simultaneous TG, DTG and DTA methods in static air atmosphere. The infrared spectral characteristics of the complexes are also discussed. The complexes contain two water molecules, two p-hydroxybenzoato (p-hba) and two nicotinamide (na) (or diethylnicotinamide (dena)) ligands per formula unit. In these complexes, all ligands are coordinated to the metal ion as monodendate ligands. In Zn(II)-na and Cu(II)-dena complexes, the p-hydroxybenzoate behaves as bidentate chelating ligand through carboxylic oxygen atoms. The decomposition pathways and the stability of the complexes are interpreted in the terms of the structural data. The final decomposition products were found to be the respective metal oxides.

  DOI：

  10.1023/b:jtan.0000032269.12381.42

文献信息

• <i>trans</i>-Diaquabis(4-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>)copper(II)
  作者：T. Hökelek、K. Budak、K. Şendil、H. Necefogˇlu

  DOI：10.1107/s0108270197013978

  日期：1998.3.15

  The title compound, [Cu(C7H5O3)(2)(C6H6N2O)(2)(H2O)(2)], is a crystallographically centrosymmetric complex in which pyridine N and carboxylate and water O atoms form a tetragonally Jahn-Teller-distorted octahedron about the Cu-II ion with bond distances of 1.956 (2), 2.011 (2) and 2.575 (2) Angstrom. The noncoordinated carboxylate O atoms form hydrogen bonds with the amide N and water O atoms [O ... O 2.705 (4) and O ... N 2.888(3) Angstrom].