| dc.contributor.author | Sevincek, R. | |
| dc.contributor.author | Ozturk, G. | |
| dc.contributor.author | Aygun, M. | |
| dc.contributor.author | Alp, S. | |
| dc.contributor.author | Büyükgüngör, Orhan | |
| dc.date.accessioned | 2020-06-21T14:40:24Z | |
| dc.date.available | 2020-06-21T14:40:24Z | |
| dc.date.issued | 2011 | |
| dc.identifier.issn | 0022-4766 | |
| dc.identifier.issn | 1573-8779 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12712/17243 | |
| dc.description | URUT, GULSIYE OZTURK/0000-0001-5223-2004; Aygun, Muhittin/0000-0001-9670-9062; Aygun, Muhittin/0000-0001-9670-9062; Alp, Serap/0000-0001-8005-302X | en_US |
| dc.description | WOS: 000294858500024 | en_US |
| dc.description.abstract | A 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.sponsorship | Ondokuz 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.sponsorship | The 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.language.iso | eng | en_US |
| dc.publisher | Pleiades Publishing Inc | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | crystal structure | en_US |
| dc.subject | oxazole-5-one | en_US |
| dc.subject | conformational analysis | en_US |
| dc.subject | topological analysis | en_US |
| dc.title | STRUCTURAL AND PHOTOPHYSICAL CHARACTERIZATION, TOPOLOGICAL AND CONFORMATIONAL ANALYSIS OF 2-o-TOLYL-4-(3-N,N-DIMETHYLAMINOPHENYLMETHYLENE)-OXAZOL-5-ONE | en_US |
| dc.type | article | en_US |
| dc.contributor.department | OMÜ | en_US |
| dc.identifier.volume | 52 | en_US |
| dc.identifier.issue | 2 | en_US |
| dc.identifier.startpage | 405 | en_US |
| dc.identifier.endpage | 411 | en_US |
| dc.relation.journal | Journal of Structural Chemistry | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
