Title of article
Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Author/Authors
Bouzian, Younos Laboratory of Heterocyclic Organic Chemistry URAC 21 - Pole of Competence Pharmacochemistry, Morocco , Kansiz, Sevgi Department of Fundamental Sciences - Faculty of Engineering - Samsun University, Turkey , Mahi, Lhassane Moroccan Foundation for Advanced Science Innovation and Research (Mascir) - Department of Nanotechnology, Morocco , Ahabchane, Noureddine Hamou Laboratory of Heterocyclic Organic Chemistry URAC 21 - Pole of Competence Pharmacochemistry, Morocco , Mague, Joel T. Department of Chemistry, Tulane University, USA , Dege, Necmi Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Karrouchi, Khalid Laboratory of Analytical Chemistry and Bromatology - Faculty of Medicine and Pharmacy - Mohamed V University, Rabat, Morocco , Essassi, El Mokhtar Laboratory of Heterocyclic Organic Chemistry URAC 21 - Pole of Competence Pharmacochemistry, Morocco
Pages
10
From page
1
To page
10
Abstract
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.
Keywords
crystal structure , dihydroquinoline , aliphatic chains , π-stacking , Hirshfeld surface analysis
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2020
Record number
2624055
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