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N -(4-Methoxy-2-nitrophenyl)-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide.

Mohcine MissiouiJoel T MagueAbdulsalam AlsubariMhammed AnsarEl Mokhtar EssassiYoussef Ramli
Published in: IUCrData (2023)
The quinoxaline unit in the title mol-ecule, C 18 H 16 N 4 O 5 , is slightly puckered [dihedral angle between the rings = 2.07 (12)°] while the whole mol-ecule adopts an L-shaped conformation. Intra-molecular hydrogen bonding determines the orientation of the substituted phenyl ring and the amide nitro-gen atom is almost planar. The packing in the crystal is governed by C-H⋯O hydrogen bonds and slipped π-stacking inter-actions.
Keyphrases
  • molecular docking
  • high resolution
  • molecular dynamics simulations
  • molecular dynamics
  • crystal structure
  • single molecule
  • solid state
  • electron transfer