(E)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol: an X-ray and DFT study
| dc.contributor.author | Yazıcı, Serap | |
| dc.contributor.author | Albayrak, Çiğdem | |
| dc.contributor.author | Gümrükçüoğlu, İsmail | |
| dc.contributor.author | Şenel, İsmet | |
| dc.contributor.author | Büyükgüngör, Orhan | |
| dc.date.accessioned | 2014-08-22T12:34:30Z | |
| dc.date.available | 2014-08-22T12:34:30Z | |
| dc.date.issued | 2010 | |
| dc.description.abstract | The title compound, C15H14N2O2, an azo dye, displays a trans configuration with respect to the N=N bridge. The dihedral angle between the aromatic rings is 0.18 (14)°. There is a strong intramolecular O-H...O hydrogen bond. Geometrical parameters, determined using X-ray diffraction techniques, are compared with those calculated by density functional theory (DFT), using hybrid exchange-correlation functional, B3LYP and semi-empirical (PM3) methods. | |
| dc.identifier.citation | Yazıcı, S., Albayrak, Ç., Gümrükçüoğlu, İ., Şenel, İ., Büyükgüngör, O. "(E)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol: an X-ray and DFT study". Acta Crystallographica Section E, (2009). E66, o559-560. | |
| dc.identifier.doi | 10.1107/S1600536810003491 | |
| dc.identifier.issn | 1600-5368 (eISSN) | |
| dc.identifier.scopus | 2-s2.0-77949416353 | |
| dc.identifier.uri | http://journals.iucr.org/e/issues/2010/03/00/bt5181/bt5181.pdf | |
| dc.identifier.uri | https://hdl.handle.net/11486/427 | |
| dc.identifier.uri | https://doi.org/10.1107/S1600536810003491 | |
| dc.identifier.wos | WOS:000275126500134 | |
| dc.language.iso | en | |
| dc.publisher | Acta Crystallographica Section E | |
| dc.relation.publicationcategory | Makale - Kategorisiz | |
| dc.subject | Single-crystal X-ray study | |
| dc.title | (E)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol: an X-ray and DFT study | |
| dc.type | Article |
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