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Structural and Photophysical Characterization, Topological and Conformational Analysis of 2- o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one

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dc.authorscopusid16445032300
dc.authorscopusid14062609900
dc.authorscopusid56249121800
dc.authorscopusid6601987021
dc.authorscopusid36039473500
dc.contributor.authorSevinçek, R.
dc.contributor.authorÖztürk, G.
dc.contributor.authorAygün, M.
dc.contributor.authorAlp, S.
dc.contributor.authorBüyuk̈güngör, O.
dc.date.accessioned2020-06-21T09:37:16Z
dc.date.available2020-06-21T09:37:16Z
dc.date.issued2011
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Sevinçek] Resul, Department of Physics, Dokuz Eylül Üniversitesi, Izmir, Turkey; [Öztürk] Gülsiye, Department of Chemistry, Dokuz Eylül Üniversitesi, Izmir, Turkey; [Aygün] Muhittin, Department of Physics, Dokuz Eylül Üniversitesi, Izmir, Turkey; [Alp] Serap, Department of Chemistry, Dokuz Eylül Üniversitesi, Izmir, Turkey; [Büyuk̈güngör] Orhan, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractA novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N- dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C<inf>19</inf>H <inf>18</inf>N<inf>2</inf>O<inf>2</inf> is synthesized and characterized and the crystal structure is determined by X-ray crystallography. TDPO is monoclinic in the P21/c space group. The molecule adopts the Z configuration. To enlighten the flexibility of TDPO, the selected torsion angle is varied from -180° to 180° in each 10° separately, and the molecular energy profile is calculated and analyzed by density functional calculations. In addition, Bader's QTAIM analysis is performed to investigate the intramolecular weak interactions. © 2011 by R. Sevinçek, G. Öztürk, M. Aygün, S. Alp, and O. Büyükgüngör.en_US
dc.identifier.doi10.1134/S0022476611020247
dc.identifier.endpage411en_US
dc.identifier.issn0022-4766
dc.identifier.issn1573-8779
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-80054748691
dc.identifier.scopusqualityQ4
dc.identifier.startpage405en_US
dc.identifier.urihttps://doi.org/10.1134/S0022476611020247
dc.identifier.volume52en_US
dc.identifier.wosqualityQ4
dc.language.isoenen_US
dc.relation.ispartofJournal of Structural Chemistryen_US
dc.relation.journalJournal of Structural Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectConformational Analysisen_US
dc.subjectCrystal Structureen_US
dc.subjectOxazole-5-Oneen_US
dc.subjectTopological Analysisen_US
dc.titleStructural and Photophysical Characterization, Topological and Conformational Analysis of 2- o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-oneen_US
dc.typeArticleen_US
dspace.entity.typePublication

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