Yazici, SerapAlbayrak, ÇiğdemGümrükçüoğlu, Ismail ErdemŞenel, IsmetBüyükgüngör, Orhan2020-01-202020-01-2020111300-05271303-6130http://www.trdizin.gov.tr/publication/paper/detail/TVRFME5ETTBOQT09https://hdl.handle.net/11486/1720The crystal structure of the title compound, (E)-2-acetyl-4-(4-methoxyphenyldiazenyl) phenol, displays a trans configuration of the azo moiety as found for other azo (diazene) derivatives. The aromatic mean planes are nearly coplanar and the dihedral angle between the 2 aromatic rings is 3.04(8)◦ . The molecules, with strong intramolecular O–H. . . O hydrogen bonding, are linked by weak van der Waals interactions in the 3-dimensional network. The molecular geometry, determined using X-ray diffraction techniques, was also calculated with the density functional theory (DFT), employing the hybrid exchange-correlation functional B3LYP. Experimental and theoretical IR spectra of the compound were also calculated for comparison. The results of the experimental and theoretical calculations are compared in this study.enMühendislikKimya(E)–2–acetyl–4–(4–methoxyphenyldiazenyl) phenol: X–ray and DFT–calculated structureArticle352341347114434