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

The asymmetric unit of the title compound, C(22)H(31)NO(3), 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 (aromatic)C—H⋯O(carbon­yl) hydrogen bonds into chains running pa...

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Detalles Bibliográficos
Autores principales: Bouzian, Younos, Kansiz, Sevgi, Mahi, Lhassane, Ahabchane, Noureddine Hamou, Mague, Joel T., Dege, Necmi, Karrouchi, Khalid, Essassi, El Mokhtar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7199246/
https://www.ncbi.nlm.nih.gov/pubmed/32431924
http://dx.doi.org/10.1107/S2056989020004521
Descripción
Sumario:The asymmetric unit of the title compound, C(22)H(31)NO(3), 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 (aromatic)C—H⋯O(carbon­yl) 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.