bis(benzoato-O,O')bis(nicotinamide-N)copper(II) | 177354-82-4

• 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: bis(benzoato-O,O')bis(nicotinamide-N)copper(II)
• 英文别名: bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II)；copper;pyridine-3-carboxamide;dibenzoate
• CAS: 177354-82-4
• 化学式: C₂₆H₂₂CuN₄O₆
• 分子量: 550.03
• InChiKey: QGPBOZUPLIQNQJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.46
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  192
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  烟酰胺 、 copper(II) benzoate 以 乙醇 为溶剂， 生成 bis(benzoato-O,O')bis(nicotinamide-N)copper(II)
  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

• Bis(benzoato-O,O')bis(nicotinamide-N)copper(II)
  作者：I. Leban、P. Segedin、K. Gruber

  DOI：10.1107/s0108270195017240

  日期：1996.5.15

  The title compound, [Cu(C7H5O2)(2)(C6H6N2O)(2)], belongs to the family of neutral copper(II) monomeric carboxylato complexes. The Cu-II ion lies on a twofold axis and the two bidentate benzoate groups form the equatorial plane. The Cu-O distances are 2.180(3) and 2.209 (3) Angstrom. The two nicotinamide moieties are bonded in axial positions [Cu-N 2.007 (3) Angstrom], thus completing the distorted octahedral coordination around Cu-II. The amide groups of the two trans nicotinamide molecules are cis with respect to each other.