(E)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol: an X-ray and DFT study
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Tarih
2010
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Acta Crystallographica Section E
Erişim Hakkı
Özet
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.
Açıklama
Anahtar Kelimeler
Single-crystal X-ray study
Kaynak
WoS Q Değeri
Scopus Q Değeri
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Sayı
Künye
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.
