bis(tert-butyl isocyanide-κC)[4-fluoro-N-((2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene)methyl)anilinido-κ**(2)N,N']copper(I) | 1338078-90-2

• 英文名称: bis(tert-butyl isocyanide-κC)[4-fluoro-N-((2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene)methyl)anilinido-κ**(2)N,N']copper(I)
• CAS: 1338078-90-2
• 化学式: C₂₉H₃₁CuF₂N₄
• 分子量: 537.135
• InChiKey: MJEKMBUNZMNOJO-LJUJORMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (tert-butylisonitrile)(η5-cyclopentadienyl)copper(I) 、 4-氟苯基异氰酸酯 以 四氢呋喃 为溶剂， 以47%的产率得到bis(tert-butyl isocyanide-κC)[4-fluoro-N-((2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene)methyl)anilinido-κ**(2)N,N']copper(I)
  参考文献：
  名称：

  Bis(tert-butyl isocyanide-κC)[4-fluoro-N-({2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ²N,N′]copper(I)

  摘要：

  The solid-state structure of the title compound, [Cu(C19H13-F2N2)(C5H9N)(2)], shows that the Cu-I centre adopts a distorted tetrahedral coordination geometry, being coordinated by two N atoms of the 6-aminofulvene-2-aldimine (AFA) chelating ligand and by the bridgehead C atoms of the two isocyanide ligands. The cyclopentadienyl and imine components of the AFA ligand are approximately coplanar, with an angle between the planes of 5.00 (3)degrees. The Cu atom lies 0.6460 (3) angstrom above the imine plane defined by the N and C atoms of the seven-membered metallocycle. There is also an uncommon C-H center dot center dot center dot Cu anagostic interaction, with an intramolecular Cu center dot center dot center dot H distance of 2.67 angstrom, which is less than the sum of the van der Waals radii.

  DOI：

  10.1107/s010827011101972x