title: (E)-2-Acetyl-4-[(3-methyl-phenyl-)diazen-yl]phenol: an X-ray and DFT study.
abstract: The title compound, C(15)H(14)N(2)O(2), 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 intra-molecular 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.
authors.forename: Serap
authors.initials: S
authors.lastname: Yazıcı
authors.forename: Ciğdem
authors.initials: C
authors.lastname: Albayrak
authors.forename: Ismail
authors.initials: I
authors.lastname: Gümrükçüoğlu
authors.forename: Ismet
authors.initials: I
authors.lastname: Senel
authors.forename: Orhan
authors.initials: O
authors.lastname: Büyükgüngör