| dc.contributor.author | Sevinçek R. | |
| dc.contributor.author | Öztürk G. | |
| dc.contributor.author | Aygün M. | |
| dc.contributor.author | Alp S. | |
| dc.contributor.author | Büyükgüngör, Orhan | |
| dc.date.accessioned | 2020-06-21T09:37:16Z | |
| dc.date.available | 2020-06-21T09:37:16Z | |
| dc.date.issued | 2011 | |
| dc.identifier.issn | 0022-4766 | |
| dc.identifier.uri | https://doi.org/10.1134/S0022476611020247 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12712/4705 | |
| dc.description.abstract | A novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N- dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C19H 18N2O2 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.description.sponsorship | F279 Dokuz Eylül Ãœniversitesi | en_US |
| dc.description.sponsorship | The authors would like to thank the Ondokuz Mayıs University Art and Sciences Faculty for the use of the STOE IPDS II Diffractometer purchased under grant No. F279, and the Dokuz Eylül University Research Fund (project number: 2007.KB.FEN.36 and 04.KB.FEN.024) for the support of this work. In addition, RS thanks TÜBİTAK (The Scientific and Technical Research Council of Turkey) for partial support. | en_US |
| dc.language.iso | eng | en_US |
| dc.relation.isversionof | 10.1134/S0022476611020247 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Conformational analysis | en_US |
| dc.subject | Crystal structure | en_US |
| dc.subject | Oxazole-5-one | 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 |
