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
Full Text URL :
Record number :
2624055
Link To Document :
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