Publication:
Crystal Structure and Hirshfeld Surface Analysis of Hexyl 1-Hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

Simple item page
dc.authorscopusid57188741998
dc.authorscopusid57194716371
dc.authorscopusid57212269139
dc.authorscopusid6603650702
dc.authorscopusid7003532104
dc.authorscopusid57201620841
dc.authorscopusid55652041800
dc.contributor.authorBouzian, Y.
dc.contributor.authorKansız, S.
dc.contributor.authorMahi, L.
dc.contributor.authorAhabchane, N.H.
dc.contributor.authorMague, J.T.
dc.contributor.authorDege, N.
dc.contributor.authorKarrouchi, K.
dc.date.accessioned2020-06-21T12:17:59Z
dc.date.available2020-06-21T12:17:59Z
dc.date.issued2020
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Bouzian] Younos, Pole of Competence Pharmacochemistry, Faculté des Sciences Rabat, Rabat, Morocco; [Kansız] Sevgi, Department of Fundamental Sciences, Samsun University, Samsun, Samsun, Turkey; [Mahi] Lhassane, Department of Nanotechnology, Moroccan Foundation for Advanced Science Innovation and Research (MAScIR), Agdal Rabat, Morocco; [Ahabchane] Noureddine Hamou, Pole of Competence Pharmacochemistry, Faculté des Sciences Rabat, Rabat, Morocco; [Mague] Joel T., Tulane University School of Science and Engineering, New Orleans, LA, United States; [Dege] Necmi, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkey; [Karrouchi] Khalid, Laboratory of Analytical Chemistry and Bromatology, Faculté de Médecine et de Pharmacie de Rabat, Rabat, Morocco; [Essassi] El Mokhtar, Pole of Competence Pharmacochemistry, Faculté des Sciences Rabat, Rabat, Moroccoen_US
dc.description.abstractThe asymmetric unit of the title compound, C<inf>22</inf>H<inf>31</inf>NO<inf>3</inf>, comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 14;(4)° to the heterocyclic ring. Individual molecules are linked by aromaticC-H..Ocarbonyl hydrogen bonds into chains running parallel to [001]. Slipped p-p 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. © 2020 International Union of Crystallography. All rights reserved.en_US
dc.identifier.doi10.1107/S2056989020004521
dc.identifier.endpage645en_US
dc.identifier.issn2056-9890
dc.identifier.pmid32431924
dc.identifier.scopus2-s2.0-85084610979
dc.identifier.scopusqualityQ3
dc.identifier.startpage642en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989020004521
dc.identifier.volume76en_US
dc.identifier.wosWOS:000533786100009
dc.language.isoenen_US
dc.publisherInternational Union of Crystallography 5 Abbey Square Chester CH1 2HUen_US
dc.relation.ispartofActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.journalActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectAliphatic Chainsen_US
dc.subjectCrystal Structureen_US
dc.subjectDihydroquinolineen_US
dc.subjectHirshfeld Surface Analysisen_US
dc.subjectStackingen_US
dc.titleCrystal Structure and Hirshfeld Surface Analysis of Hexyl 1-Hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylateen_US
dc.typeArticleen_US
dspace.entity.typePublication

Files

Collections

Scopus İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu