| 201941-39-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 201941-39-1
• 化学式: C₁₅H₂₀CuN₂O₂S₂
• 分子量: 388.014
• InChiKey: FGQKBJQAXUOZQF-PIHABLKOSA-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) choride dihydrate 、 sodium N,N-cyclo-pentamethylenedithiocarbamate dihydrate 、 1-(2-hydroxy-phenyl)-propan-1-one oxime 在 NaOH 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopic Investigation of Mixed-Ligand Copper Chelates containing 2-hydroxyaryloximes and N-disubstituted dithiocarbamates. Crystal and molecular structure of trans-bis[propanone, 1-(2-hydroxy-phenyl)oximato] copper(II)

  摘要：

  AbstractA series of mixed‐ligand copper(II) chelates containing the anion of 2‐hydroxyaryloxime(oxime) and N,N‐disubstituted dithiocarbamate(dtc), [Cu(dtc)(oxime)], was prepared and characterised. The spectra (IR, ESR, electronic excitation) indicate that the CuNOS2 chromophore attains square planar geometry. The ESR observables suggest appreciable covalency. In the case of [Cu(Et2dtc)(oxime)] chelates, however, the observed data suggest distortion from square planar arrangement to a square pyramidal, indicative of a possible dimerism.In addition, the structure of the trans‐bis[propanone, 1‐(2‐hydroxyphenyl)‐oximato]copper(II), Cu(C9H10NO2)2 was determined by X‐ray diffraction (monoclinic, space group P21/n, a = 12.072(7) Å, b = 5.204(2) Å, c = 13.571(6) Å, β = 103.72(1)°, Z = 2). The molecule consists of discrete Cu(ppox)2 monomeric units, where the Cu atom is in the equatorial plane bonded to two nitrogen atoms and two oxygen at distances of 1.949(2) and 1.882(2) Å, respectively.

  DOI：

  10.1002/zaac.19976231225