Acta Crystallographica Section E: Crystallographic Communications (May 2020)

Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

  • Younos Bouzian,
  • Sevgi Kansiz,
  • Lhassane Mahi,
  • Noureddine Hamou Ahabchane,
  • Joel T. Mague,
  • Necmi Dege,
  • Khalid Karrouchi,
  • El Mokhtar Essassi

DOI
https://doi.org/10.1107/S2056989020004521
Journal volume & issue
Vol. 76, no. 5
pp. 642 – 645

Abstract

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The asymmetric unit of the title compound, C22H31NO3, comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)° to the heterocyclic ring. Individual molecules are linked by aromaticC—H...Ocarbonyl hydrogen bonds into chains running parallel to [001]. Slipped π–π stacking interactions between quinoline moieties link these chains into layers extending parallel to (100). Hirshfeld surface analysis, two-dimensional fingerprint plots and molecular electrostatic potential surfaces were used to quantify the intermolecular interactions 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%) interactions.

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