Bis(tert-butyl isocyanide-kappa C) 4-fluoro-N-({2- N-(4-fluorophenyl)carboximidoyl cyclopenta-2,4-dien-1 -yl-idene}methyl)anilinido-kappa(2)N,N ' -copper(I)

Alex M Willcocks, Andrew L Johnson, Paul R Raithby, Stefanie Schiffers, John E Warren

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Abstract

The solid-state structure of the title compound, [Cu(C(19)H(13)-F(2)N(2))(C(5)H(9)N)(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.
LanguageEnglish
PagesM215-M217
JournalActa Crystallographica Section C-Crystal Structure Communications
Volume67
Issue number7
DOIs
StatusPublished - Jul 2011

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Copper
Imines
Ligands
Atoms
Cyanides
Chelation
Geometry
tert-butyl isocyanide

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title = "Bis(tert-butyl isocyanide-kappa C) 4-fluoro-N-({2- N-(4-fluorophenyl)carboximidoyl cyclopenta-2,4-dien-1 -yl-idene}methyl)anilinido-kappa(2)N,N ' -copper(I)",
abstract = "The solid-state structure of the title compound, [Cu(C(19)H(13)-F(2)N(2))(C(5)H(9)N)(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.",
author = "Willcocks, {Alex M} and Johnson, {Andrew L} and Raithby, {Paul R} and Stefanie Schiffers and Warren, {John E}",
year = "2011",
month = "7",
doi = "10.1107/s010827011101972x",
language = "English",
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pages = "M215--M217",
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publisher = "International Union of Crystallography",
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T1 - Bis(tert-butyl isocyanide-kappa C) 4-fluoro-N-({2- N-(4-fluorophenyl)carboximidoyl cyclopenta-2,4-dien-1 -yl-idene}methyl)anilinido-kappa(2)N,N ' -copper(I)

AU - Willcocks,Alex M

AU - Johnson,Andrew L

AU - Raithby,Paul R

AU - Schiffers,Stefanie

AU - Warren,John E

PY - 2011/7

Y1 - 2011/7

N2 - The solid-state structure of the title compound, [Cu(C(19)H(13)-F(2)N(2))(C(5)H(9)N)(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.

AB - The solid-state structure of the title compound, [Cu(C(19)H(13)-F(2)N(2))(C(5)H(9)N)(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.

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T2 - Acta Crystallographica Section C-Crystal Structure Communications

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