tribromo(4-cyanopyridine)gold(III) | 21113-16-6

• 英文名称: tribromo(4-cyanopyridine)gold(III)
• 英文别名: [Au(4-cyanopyridine)Br₃]；[Au(CN-py)Br₃]
• CAS: 21113-16-6
• 化学式: C₆H₄AuBr₃N₂
• 分子量: 540.79
• InChiKey: PYWWUCOFJLFEOB-UHFFFAOYSA-K

物化性质

• 熔点：
  251 °C

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：

  4-氰基吡啶 、 gold(III) bromide 以 乙腈 为溶剂， 反应 0.5h， 以76.1%的产率得到tribromo(4-cyanopyridine)gold(III)
  参考文献：
  名称：

  Halogenated Gold(III) Complexes Containing 4-Cyanopyridine: Synthesis, Characterization, and Crystal Structure

  摘要：

  [Au(CN-py)Cl-3] complex (1) and [Au(CN-py)Br-3] complex (2) (CN-py is 4-cyanopyridine) were prepared from the reaction of 4-cyanopyridine with HAuCl4.3H(2)O and AuBr3 in acetonitrile, respectively. Both complexes were characterized by IR, UV-Vis, H-1 NMR, and(13)C NMR spectroscopy and their structures were studied by the single-crystal X-ray diffraction method. Intermolecular C-H...Cl hydrogen bonds and Au...Cl contacts in the crystal structure of complex 1 and intermolecular C-H...Br hydrogen bonds and Au...Br and Br...N contacts in complex 2 effectively stabilize these complexes in their crystal structure.

  DOI：

  10.1080/15533174.2012.761236