[Ni(II)(nicotinamide)2(benzoate)2(H2O)2] | 930779-47-8

• 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: [Ni(II)(nicotinamide)2(benzoate)2(H2O)2]
• 英文别名: diaquadibenzoatobis(nicotinamide)nickel(II)
• CAS: 930779-47-8
• 化学式: C₂₆H₂₆N₄NiO₈
• 分子量: 581.204
• InChiKey: FTKMPELQYLFZEX-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

• 作为产物：
  描述：

  烟酰胺 、 nickel(II) benzoate 以 乙醇 为溶剂， 生成 [Ni(II)(nicotinamide)2(benzoate)2(H2O)2]
  参考文献：
  名称：

  Coordination compounds of 3d-metal valerates and benzoates with nicotinamide

  摘要：

  Complexes of iron(II), cobalt(II), nickel(II), copper(II), and zinc valerates and benzoates with nicotinamide were synthesized. The products were characterized by chemical analysis, IR spectroscopy, diffuse reflection spectroscopy, and thermogravimetry.

  DOI：

  10.1134/s107036320709023x

文献信息

• Synthesis and crystal structure of diaquadibenzoatobis(nicotinamide)nickel(II)
  作者：T. V. Koksharova、G. G. Sadikov、A. S. Antsyshkina、I. S. Gritsenko、V. S. Sergienko、O. A. Egorova

  DOI：10.1134/s0036023606060088

  日期：2006.6

  A coordination compound of nickel(II) benzoate with nicotinamide [Ni(C6H5COO)(2)(L)(2)(H2O)(2)] (I) (L is nicotinic acid amide) is synthesized and studied by IR spectroscopy. Its crystal structure is solved by X-ray crystallography. The crystals of compound I are monoclinic: a = 7.152 angstrom, b = 18.266 angstrom, c = 10.341 angstrom, beta = 109.24 degrees, V = 1275.4 angstrom(3), Z = 2, space group P2(1)/c. Structural units of a crystal of I are centrosymmetric octahedral complex molecules. The coordination environment of the Ni atom contains two O atoms (Ni-O(1) 2.066(2)angstrom) and two N atoms (Ni-N(1) 2.091(2) angstrom) of the monodentate-coordinated benzoate anions and nicotinamide molecules, respectively, as well as two O atoms of the H2O molecules (Ni-O(1w) 2.110(2)angstrom).