| 164413-58-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 164413-58-5
• 化学式: C₃₀H₅₀CuN₂O₅
• 分子量: 582.283
• InChiKey: OOKRKKOYCLOWNY-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：

  水 、 吡啶 、 copper(II) decanoate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Preparation and characterization of copper(II) coordination compounds with linear chain fatty acids with 7–12 carbon atoms and pyridine. Crystal structure of Cu(O2CC8H17)2(py)2(H2O)

  摘要：

  Mononuclear compounds of the composition CuX(2)(py)(2)(H2O) and binuclear of the composition Cu(2)X(4)(py)(2) (py = pyridine, X = heptanoate, octanoate, nonanoate, decanoate or dodecanoate) were prepared, analysed and characterized by vibrational spectroscopy and thermogravimetry. Generally, the complexes are unstable, the mononuclear being even less stable than binuclear, losing pyridine in air at room temperature. The X-ray crystal structure of the mononuclear adduct of copper(II) nonanoate with pyridine, Cu(O2CC8H17)(2)(py)(2)(H2O), was determined by X-ray diffraction. The copper (II) ion is in a square pyramidal environment with two pyridine nitrogen atoms and two oxygen atoms from unidentate nonanoato ligands forming the basal plane of the pyramid and a water molecule coordinated at the apex. The carboxylate oxygen O(2) is not coordinated to copper, but is bound to water from a neighbouring molecule by the O-H ... O(2) hydrogen bond of 2.691(5) Angstrom.

  DOI：

  10.1016/0277-5387(94)00362-i