(η2-(1-(η5-cyclopentadienyl))-1-nickelafluorenyl)lithium(diethyl ether)2 | 1025484-72-3

• 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: (η2-(1-(η5-cyclopentadienyl))-1-nickelafluorenyl)lithium(diethyl ether)2
• 英文别名: lithium;cyclopenta-1,3-diene;ethoxyethane;nickel(2+);phenylbenzene
• CAS: 1025484-72-3
• 化学式: C₂₅H₃₃LiNiO₂
• 分子量: 431.167
• InChiKey: GRGWZYANODOALW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [η5-(pentamethylcyclopentadienyl)Ni(acac)] 、 (η2-(1-(η5-cyclopentadienyl))-1-nickelafluorenyl)lithium(diethyl ether)2 以 乙醚 为溶剂， 以58%的产率得到[(8a,9,9a-η)-9-(η(5)-cyclopentadienyl)-9-nickelafluorenyl](η5-pentamethylcyclopentadienyl)nickel(II)
  参考文献：
  名称：

  [(8a,9,9a-η)-9-(η⁵-Cyclopentadienyl)-9-nickelafluorenyl](η⁵-pentamethylcyclopentadienyl)nickel(II)

  摘要：

  The title compound, [Ni-2(C5H5)(C10H15)(C12H8)] or [Ni-(C10H15){Ni(C5H5)(C12H8)}], is a rare example (and the first obtained from nickelafluorenyllithium) of an analogue of nickelocene in which the central Ni atom is coordinated to one pentamethylcyclopentadienyl ring and one nickelafluorenyl ring. Both rings lie almost parallel to one another: the dihedral angle between the planes which include these rings is 4.4 (1)degrees. Slip parameter analysis indicates that the bonding mode of the central Ni atom to the nickelacyclic ring is between eta(3) and eta(5). Two-dimensional layers of molecules are formed by C-H center dot center dot center dot pi interactions.

  DOI：

  10.1107/s0108270108019239
• 作为产物：
  描述：

  乙醚 、 biphenyl-2,2'-diyl-bis-lithium 、 nickelocene 以 乙醚 为溶剂， 生成 (η2-(1-(η5-cyclopentadienyl))-1-nickelafluorenyl)lithium(diethyl ether)2
  参考文献：
  名称：

  Synthesis and Structures of 9-Nickelafluorenyllithium Complexes

  摘要：

  A novel lithium biphenyl-2,2'-diyl(cyclopentadienyl)nickelate compound (9-nickelafluorenyllithium complex), ether)(2) (1), was prepared in the reaction between 2,2' dilithiobiphenyl and nickelocene in diethyl ether. Compound 1 was transformed to other 9-nickelafluorenyllithium compounds, [(1-(eta(5)-cyclopentadienyl))-1-nickelafluorenyl][lithium-(dimethoxyethane)(3)] (2) and (eta(5-)(1-(eta(5)-cyclopentadienyl))-1-nickelafluorenyl)lithium(dimethoxyethane) (3), whose crystal and molecular structures were determined by single-crystal X-ray analysis.

  DOI：

  10.1021/om701275u