| 177664-01-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 177664-01-6
• 化学式: C₄₈H₅₀CuF₆N₆O₈
• 分子量: 1016.5
• InChiKey: IKRYXXBFPQFBFJ-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：

  copper(II) flufenamate monohydrate 、 尼可刹米 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Spectral study of copper(II) flufenamates: crystal and molecular structure of biis(Flufenamato)DI(N,N-diethylnicotinamide)Di(Aqua)copper(II)

  摘要：

  New copper(II) flufenamate (flu) compounds of the composition Cu(flu)(2)L (L = papaverine or caffeine) and Cu(flu)(2)L(2) [L = nicotine, nicotinamide, N,N-diethylnicotinamide (Et(2)nia), pyridine-2,6-dimethanol or methyl-3-pyridylcarbamate] have been prepared. The spectroscopic properties of Cu(flu)(2)L indicate the presence of copper(II) dimers structurally similar to those in copper(II) acetate monohydrate. All the Cu(flu)(2)L(2) compounds seem to possess octahedral copper(II) stereochemistry with differing tetragonal distortions. An X-ray analysis of Cu(flu)(2)(Et(2)nia)(2)(H2O)(2) was carried out, and it featured tetragonal bipyramidal geometry around the copper(II) atom. The tetragonal plane is created by flufenamate anions bonded to the copper(II) atom via the unidentate carboxylate oxygen atoms [Cu-O(3) = 196.1(2) pm], the pyridine ring nitrogen atoms of the neutral ligand N,N-diethylnicotinamide [Cu-N(1) = 200.1(3) pm] and axial water molecules [Cu-O(2) = 244.9(4) pm].

  DOI：

  10.1016/0277-5387(95)00486-6