[Co(m-hydroxybenzoato)2(H2O)2(nicotinamide)2] | 246244-30-4

• 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: [Co(m-hydroxybenzoato)2(H2O)2(nicotinamide)2]
• 英文别名: Co(m-hydroxybenzoate)2(nicotinamide)(H2O)2；Co(m-hba)2(na)(H2O)2；cobalt(2+);3-hydroxybenzoate;pyridine-3-carboxamide;dihydrate
• CAS: 246244-30-4
• 化学式: C₂₆H₂₆CoN₄O₁₀
• 分子量: 613.506
• InChiKey: HYNBPKWLLKRQHP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.78
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  235
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [Co(m-hydroxybenzoato)2(H2O)2(nicotinamide)2] 以 neat (no solvent) 为溶剂， 生成 cobalt(II) oxide
  参考文献：
  名称：

  Synthesis and characterization of bis(nicotinamide) m-hydroxybenzoate complexes of Co(II), Ni(II), Cu(II) and Zn(II)

  摘要：

  合成并表征了烟酰胺与 Co(II)、Ni(II)、Cu(II) 和 Zn(II) 的间羟基苯甲酸混合配体配合物。化学、傅立叶变换红外和紫外-可见分光光度法、热分析、质谱分析以及磁感应强度测量结果表明，这些化合物每个分子式单位含有两个水分子、两个间羟基苯甲酸（m-hba）配体和两个烟酰胺（na）配体。根据结构数据解释了配合物的热分解途径和稳定性。

  DOI：

  10.1007/s10973-007-8712-5
• 作为产物：
  描述：

  sodium 3-hydroxybenzoate 以 水 为溶剂， 生成 [Co(m-hydroxybenzoato)2(H2O)2(nicotinamide)2]
  参考文献：
  名称：

  Synthesis and characterization of bis(nicotinamide) m-hydroxybenzoate complexes of Co(II), Ni(II), Cu(II) and Zn(II)

  摘要：

  合成并表征了烟酰胺与 Co(II)、Ni(II)、Cu(II) 和 Zn(II) 的间羟基苯甲酸混合配体配合物。化学、傅立叶变换红外和紫外-可见分光光度法、热分析、质谱分析以及磁感应强度测量结果表明，这些化合物每个分子式单位含有两个水分子、两个间羟基苯甲酸（m-hba）配体和两个烟酰胺（na）配体。根据结构数据解释了配合物的热分解途径和稳定性。

  DOI：

  10.1007/s10973-007-8712-5

文献信息

• Synthesis and characterization of bis(nicotinamide) m-hydroxybenzoate complexes of Co(II), Ni(II), Cu(II), and Zn(II)
  作者：Dursun Ali Köse

  DOI：10.1134/s0036023607090124

  日期：2007.9

  Mixed-ligand m-hydroxybenzoate complexes of Co(II), Ni(II), Cu(II), and Zn(II) with nicotinamide were synthesized and characterized by elemental analysis, FT-IR spectrometry, solid state UV-vis spectrometry, and magnetic susceptibility measurements. The thermal behavior of the complexes was studied by simultaneous TG-DTA methods in static air atmosphere. The infrared spectral characteristics of the complexes are discussed and the mass spectra data are recorded. The complexes contain two water molecules, two m-hydroxybenzoato (m-hba), and two nicotinamide (na) ligands per formula unit. In these complexes, the m-hydroxybenzoate and nicotinamide behave as a monodentate ligand through acidic oxygen and nitrogen of the pyridine ring. The decomposition pathways and the stability of the complexes are interpreted in terms of the structural data. The final decomposition products were found to be the respective metal oxides.
• <i>trans</i>-Diaquabis(3-hydroxybenzoato-<i>O</i>)bis(nicotinamide-<i>N</i>¹)cobalt(II)
  作者：T. Hökelek、H. Necefouglu

  DOI：10.1107/s0108270199006733

  日期：1999.9.15

  The title compound, [Co(C7H5O3)(2)(C6H6N2O)(2)(H2O)(2)]. is a monomeric and centrosymmetric cobalt complex. It contains two 3-hydroxybenzoate anions, two nicotinamide (NA) molecules and two water molecules as ligands. Each ligand is monodentate, The two nearest carboxylate O atoms and the two water O atoms form a slightly distorted square-planar arrangement around the Co atom [with distances of 2.099 (3) and 2.132 (3) Angstrom, respectively], while the distorted octahedral coordination is completed by the pyridine N atoms of the NA ligands at a distance of 2.139 (4) Angstrom. There is an intramolecular hydrogen bond between the nicotinamide N and O atoms [N ... O 2.228(6) Angstrom], and the hydroxybenzoate and water O atoms form inter- [2.662(5) Angstrom] and intramolecular [2.586 (5) Angstrom] hydrogen bonds, respectively, with the non-coordinated O atom of the carboxylate group.