Publication:
STRUCTURAL AND PHOTOPHYSICAL CHARACTERIZATION, TOPOLOGICAL AND CONFORMATIONAL ANALYSIS OF 2-o-TOLYL-4-(3-N,N-DIMETHYLAMINOPHENYLMETHYLENE)-OXAZOL-5-ONE

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dc.contributor.authorSevincek, R.
dc.contributor.authorOzturk, G.
dc.contributor.authorAygun, M.
dc.contributor.authorAlp, S.
dc.contributor.authorBüyükgüngör, Orhan
dc.date.accessioned2020-06-21T14:40:24Z
dc.date.available2020-06-21T14:40:24Z
dc.date.issued2011
dc.departmentOMÜen_US
dc.department-temp[Sevincek, R. -- Aygun, M.] Dokuz Eylul Univ, Dept Phys, Fac Arts & Sci, TR-35160 Izmir, Turkey -- [Ozturk, G. -- Alp, S.] Dokuz Eylul Univ, Dept Chem, Fac Arts & Sci, TR-35160 Izmir, Turkey -- [Büyükgüngör, Orhan] Ondokuz Mayis Univ, Dept Phys, Fac Arts & Sci, TR-55139 Kurupelit, Samsun, Turkey --en_US
dc.descriptionURUT, GULSIYE OZTURK/0000-0001-5223-2004; Aygun, Muhittin/0000-0001-9670-9062; Aygun, Muhittin/0000-0001-9670-9062; Alp, Serap/0000-0001-8005-302Xen_US
dc.descriptionWOS: 000294858500024en_US
dc.description.abstractA novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N-dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C19H18N2O2 is synthesized and characterized and the crystal structure is determined by X-ray crystallography. TDPO is monoclinic in the P2(1)/c space group. The molecule adopts the Z configuration. To enlighten the flexibility of TDPO, the selected torsion angle is varied from -180 degrees to 180 degrees in each 10 degrees 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.en_US
dc.description.sponsorshipOndokuz Mayis University Art and Sciences FacultyOndokuz Mayis University [F279]; Dokuz Eylul UniversityDokuz Eylul University [2007.KB.FEN.36, 04.KB.FEN.024]; TUBITAK (The Scientific and Technical Research Council of Turkey)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK)en_US
dc.description.sponsorshipThe authors would like to thank the Ondokuz Mayis University Art and Sciences Faculty for the use of the STOE IPDS II Diffractometer purchased under grant No. F279, and the Dokuz Eylul University Research Fund (project number: 2007.KB.FEN.36 and 04.KB.FEN.024) for the support of this work. In addition, RS thanks TUBITAK (The Scientific and Technical Research Council of Turkey) for partial support.en_US
dc.identifier.endpage411en_US
dc.identifier.issn0022-4766
dc.identifier.issn1573-8779
dc.identifier.issue2en_US
dc.identifier.startpage405en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12712/17243
dc.identifier.volume52en_US
dc.language.isoenen_US
dc.publisherPleiades Publishing Incen_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.subjectcrystal structureen_US
dc.subjectoxazole-5-oneen_US
dc.subjectconformational analysisen_US
dc.subjecttopological analysisen_US
dc.titleSTRUCTURAL AND PHOTOPHYSICAL CHARACTERIZATION, TOPOLOGICAL AND CONFORMATIONAL ANALYSIS OF 2-o-TOLYL-4-(3-N,N-DIMETHYLAMINOPHENYLMETHYLENE)-OXAZOL-5-ONEen_US
dc.typeArticleen_US
dspace.entity.typePublication

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