1338078-90-2

Basic information

• Product Name: 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 NO: 1338078-90-2
• Molecular Weight: 537.135
• Mol File: 1338078-90-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 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 DataBase Reference)
• NIST Chemistry Reference: 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)
• EPA Substance Registry System: 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)

Safety Data

• Hazardous Substances Data: 1338078-90-2(Hazardous Substances Data)

Upstream product

• 24075-34-1 4-fluorophenyl isocyanide 

Relevant articles and documents

Bis(tert-butyl isocyanide-κC)[4-fluoro-N-({2-[N-(4-fluoro-phenyl)- carbox-imido-yl]-cyclo-penta-2,4-dien-1-yl-idene}-methyl)-anilinido- κ2 N,N′]copper(I)

The solid-state structure of the title compound, [Cu(C19H 13F2N2)(C5H9N) 2], shows that the CuI centre adopts a distorted tetra-hedral coordination geometry, being coordinated by two N atoms of the 6-amino-fulvene-2-aldimine (AFA) chelating ligand and by the bridgehead C atoms of the two isocyanide ligands. The cyclo-penta-dienyl and imine components of the AFA ligand are approximately coplanar, with an angle between the planes of 5.00 (3)°. The Cu atom lies 0.6460 (3) A above the imine plane defined by the N and C atoms of the seven-membered metallocycle. There is also an uncommon C-H...Cu anagostic inter-action, with an intra-molecular Cu...H distance of 2.67 A, which is less than the sum of the van der Waals radii.