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Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate.

Younos BouzianSevgi KansizLhassane MahiNoureddine Hamou AhabchaneJoel T MagueNecmi DegeKhalid KarrouchiEl Mokhtar Essassi
Published in: Acta crystallographica. Section E, Crystallographic communications (2020)
The asymmetric unit of the title compound, C22H31NO3, comprises of one mol-ecule. The mol-ecule is not planar, with the carboxyl-ate ester group inclined by 33.47 (4)° to the heterocyclic ring. Individual mol-ecules are linked by aromaticC-H⋯Ocarbon-yl hydrogen bonds into chains running parallel to [001]. Slipped π-π stacking inter-actions between quinoline moieties link these chains into layers extending parallel to (100). Hirshfeld surface analysis, two-dimensional fingerprint plots and mol-ecular electrostatic potential surfaces were used to qu-antify the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (72%), O⋯H/H⋯O (14.5%) and C⋯H/H⋯C (5.6%) inter-actions.
Keyphrases
  • crystal structure
  • biofilm formation
  • solid state
  • single molecule
  • risk assessment
  • pseudomonas aeruginosa
  • candida albicans