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Crystal Structure and DFT Study of Benzyl 1-Benzyl-2-oxo-1,2-dihydro-quinoline-4-carboxylate

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dc.authorscopusid57188741998
dc.authorscopusid56152018700
dc.authorscopusid7003532104
dc.authorscopusid57210234009
dc.authorscopusid57201620841
dc.authorscopusid55652041800
dc.authorscopusid55652041800
dc.contributor.authorBouzian, Y.
dc.contributor.authorFaizi, M.S.H.
dc.contributor.authorMague, J.T.
dc.contributor.authorOtmani, B.E.
dc.contributor.authorDege, N.
dc.contributor.authorKarrouchi, K.
dc.contributor.authorEssassi, E.M.
dc.date.accessioned2020-06-21T12:26:28Z
dc.date.available2020-06-21T12:26:28Z
dc.date.issued2019
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Bouzian] Younos, Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Morocco; [Faizi] Md Serajul Haque, Department of Chemistry, Langat Singh College, Muzaffarpur, BR, India; [Mague] Joel T., Tulane University School of Science and Engineering, New Orleans, LA, United States; [Otmani] Bouchaib El, Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Morocco; [Dege] Necmi, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Karrouchi] Khalid, Laboratory of Chemistry, Faculté des Sciences Rabat, Rabat, Morocco; [Essassi] El Mokhtar, Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Moroccoen_US
dc.description.abstractIn the title quinoline derivative, C24H19NO<inf>3</inf>, the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C - H⋯O contact forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C - H,H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C - H⋯π interactions, forming a supramolecular three-dimensional structure. © 2019.en_US
dc.identifier.doi10.1107/S2056989019007989
dc.identifier.endpage983en_US
dc.identifier.issn2056-9890
dc.identifier.pmid31392008
dc.identifier.scopus2-s2.0-85069987600
dc.identifier.scopusqualityQ3
dc.identifier.startpage980en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989019007989
dc.identifier.volume75en_US
dc.identifier.wosWOS:000477636700010
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.subject2-Oxo-1,2-Dihydroquinolineen_US
dc.subjectC-H⋯O Hydrogen Bondingen_US
dc.subjectC-H⋯π Interactionsen_US
dc.subjectCrystal Structureen_US
dc.subjectDFTen_US
dc.subjectSupramolecular Three-Dimensional Structureen_US
dc.titleCrystal Structure and DFT Study of Benzyl 1-Benzyl-2-oxo-1,2-dihydro-quinoline-4-carboxylateen_US
dc.typeArticleen_US
dspace.entity.typePublication

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