Publication: Crystal Structure and Conformational Analysis of 4-[(p-N,N-Dimethylamino)Benzylidene]-2-(3,5-Dinitrophenyl)oxazole-5-One
| dc.contributor.author | Sevincek, Resul | |
| dc.contributor.author | Ozturk, Gulsiye | |
| dc.contributor.author | Aygun, Muhittin | |
| dc.contributor.author | Yavuz Ergun, Mustafa | |
| dc.contributor.author | Alp, Serap | |
| dc.contributor.author | Büyükgüngör, Orhan | |
| dc.contributor.authorID | Alp, Serap/0000-0001-8005-302X | |
| dc.contributor.authorID | URUT, GULSIYE OZTURK/0000-0001-5223-2004 | |
| dc.contributor.authorID | Aygun, Muhittin/0000-0001-9670-9062 | |
| dc.date.accessioned | 2020-06-21T15:12:36Z | |
| dc.date.available | 2020-06-21T15:12:36Z | |
| dc.date.issued | 2009 | |
| dc.department | OMÜ | en_US |
| dc.department-temp | [Sevincek, Resul -- Aygun, Muhittin] Dokuz Eylul Univ, Fac Arts & Sci, Dept Phys, TR-35160 Izmir, Turkey -- [Ozturk, Gulsiye -- Yavuz Ergun, Mustafa -- Alp, Serap] Dokuz Eylul Univ, Fac Arts & Sci, Dept Chem, TR-35160 Izmir, Turkey -- [Büyükgüngör, Orhan] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Kurupelit, Samsun, Turkey -- | en_US |
| dc.description.abstract | An azlactone derivative, 4-[(p-N,N-dimethylamino)benzylidene]-2-(3,5-dinitrophenyl)oxazol-5-one (DNPO), C18H14N4O6, has been synthesized, and its crystal structure has been investigated by single crystal X-ray analysis and ab initio method. DNPO is monoclinic, with a=9.3628(4), b=13.5148(9), c=13.7701(6), =92.921(4), Z=4, Dx=1.46g/cm3, (MoK)=0.112mm-1, and space group P 121/c1. The whole molecule is almost planar. The crystal structure is stabilized by C-HN type intramolecular, C-HO type intermolecular interactions. To determine the flexibility of DNPO, the selected torsion angle is varied from-180 to 180 in steps of 10, and the molecular energy profile is calculated and analyzed. | en_US |
| dc.description.sponsorship | Dokuz Eylul University Research FundDokuz Eylul University [2007.KB.FEN.36]; TUBI-TAK (The Scientific and Technical Research Council of Turkey)Turkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) | en_US |
| dc.description.sponsorship | The authors thank Dokuz Eylul University Research Fund (project number 2007.KB.FEN.36) for financial support of this work. In addition, R. S. thanks TUBI-TAK (The Scientific and Technical Research Council of Turkey) for partial financial support. | en_US |
| dc.identifier.doi | 10.1080/00387010802428708 | |
| dc.identifier.endpage | 6 | en_US |
| dc.identifier.issn | 0038-7010 | |
| dc.identifier.issn | 1532-2289 | |
| dc.identifier.issue | 1 | en_US |
| dc.identifier.startpage | 1 | en_US |
| dc.identifier.uri | https://doi.org/10.1080/00387010802428708 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12712/19022 | |
| dc.identifier.volume | 42 | en_US |
| dc.identifier.wos | WOS:000262001500001 | |
| dc.language.iso | en | en_US |
| dc.publisher | Taylor & Francis Inc | en_US |
| dc.relation.journal | Spectroscopy Letters | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Azlactones | en_US |
| dc.subject | Conformational Analysis | en_US |
| dc.subject | Crystal Structure | en_US |
| dc.title | Crystal Structure and Conformational Analysis of 4-[(p-N,N-Dimethylamino)Benzylidene]-2-(3,5-Dinitrophenyl)oxazole-5-One | en_US |
| dc.type | Article | en_US |
| dspace.entity.type | Publication |