[1,3-bis(4-nitrophenyl)triazenido](triphenylphosphine)gold(I) | 651032-77-8

• 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: [1,3-bis(4-nitrophenyl)triazenido](triphenylphosphine)gold(I)
• 英文别名: gold(1+);(4-nitrophenyl)-[(4-nitrophenyl)diazenyl]azanide;triphenylphosphane
• CAS: 651032-77-8
• 化学式: C₃₀H₂₃AuN₅O₄P
• 分子量: 745.484
• InChiKey: KJUKQTLCIUBEAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.65
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  三苯基膦氯金 、 1,3-bis-(4-nitro-phenyl)-triazene 在 Na 作用下， 以 四氢呋喃 为溶剂， 以55%的产率得到[1,3-bis(4-nitrophenyl)triazenido](triphenylphosphine)gold(I)
  参考文献：
  名称：

  [1,3-Bis(4-nitrophenyl)triazenido](triphenylphosphine)gold(I)

  摘要：

  In the title complex, [Au(C12H8N5O4)(C18H15P)], the coordination geometry about the Au-I ion is linear, with one deprotonated 1,3-bis(4-nitrophenyl) triazenide ion, [O2NC6H4N= N-NC6H4NO2](-), acting as a monodentate ligand (two-electron donor), and one neutral triphenylphosphine molecule completing the metal coordination. The triazenide ligand is almost planar (r.m.s. deviation = 0.0767 Angstrom), with the largest interplanar angle being 11.6 (7) degrees between the phenyl ring of one of the terminal 4-nitrophenyl substituents and the plane defined by the N=N-N triad. The Au-N and Au-P distances are 2.108 (5) and 2.2524 (13) Angstrom, respectively. Pairs of molecules generated by centrosymmetry are associated into a supramolecular array via intermolecular C-H...O interactions, and N...C and N...O pi-pi interactions.

  DOI：

  10.1107/s0108270103018481