zinc(II) p-hydroxybenzoate hydrate | 99294-76-5

• 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: zinc(II) p-hydroxybenzoate hydrate
• 英文别名: zinc(II) 4-hydroxybenzoate octahydrate；4-hydroxy-benzoic acid ; zinc (II)-compound；4-Hydroxy-benzoesaeure; Zink(II)-Verbindung
• CAS: 99294-76-5
• 化学式: 2C₇H₅O₃*(x)H₂O*Zn
• InChiKey: UCOARZDMNICYOG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.07
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.86
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N,N-二乙基异烟酰胺 、 zinc(II) p-hydroxybenzoate hydrate 以 水 为溶剂， 生成 bis(μ-4-hydroxybenzoato-O:O')bis[(N,N-diethylnicotinamide-N(1))(4-hydroxybenzoato-O)zinc(II)] dihydrate
  参考文献：
  名称：

  Bis(μ-4-hydroxybenzoato-O:O')bis[(N,N-diethylnicotinamide-N1)(4-hydroxybenzoato-O)zinc(II)] Dihydrate

  摘要：

  The binuclear centrosymmetric zinc complex of the title compound, [Zn-2(C7H5O3)(4)(C10H14N2O)(2)].2H(2)O, contains four benzoate ligands, two of which bridge the two Zn atoms [Zn ... Zn' 6.685 (5) Angstrom] and two of which coordinate as monodentate ligands. Each Zn atom is coordinated by three O atoms and an N atom from an N,N-diethylnicotinamide ligand with slightly distorted tetrahedral coordination geometry. The water molecules are hydrogen bonded to the nicotinamide O atoms [O O 2.756 (4) Angstrom].

  DOI：

  10.1107/s0108270195015976
• 作为产物：
  描述：

  zinc(II) sulfate heptahydrate 、 sodium 4-hydroxybenzoate 以 not given 为溶剂， 生成 zinc(II) p-hydroxybenzoate hydrate
  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