Login / Signup

N -(2,3,5,6-Tetrafluoropyridin-4-yl)formamide.

Bailey D NewellColin D McMillenJohn P Lee
Published in: IUCrData (2022)
The title compound, C 6 H 2 F 4 N 2 O, displays amide bond lengths of 1.218 (3) Å and 1.366 (3) Å for the C=O and C-N bonds, respectively. The C p -N-C-O (p = pyridine) torsion angle of 179.0 (2)° indicates an anti-conformation for the grouping. Inter-molecular hydrogen bonding is observed between the amine N-H group and the carbonyl O atom, which generates chains of mol-ecules propagating along the b- axis direction.
Keyphrases
  • high resolution
  • molecular dynamics
  • electron transfer
  • transition metal
  • molecular dynamics simulations
  • crystal structure
  • single molecule
  • mass spectrometry