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  • Küçük Resim
    Öğe
    1-{5-[(E)-(2-Fluorophenyl)diazenyl]-2-hydroxyphenyl}ethanone
    (Acta Crystallographica Section E, 2011) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
    Theere are two independent molecules in the asymmetric unit of the title compound, C14H11FN2O2, each with a trans configuration with respect to the azo double bond. The dihedral angle between the aromatic rings is 17.21 (2)° in one molecule and 19.06 (2)° in the other. Each of the independent molecules has an intramolecular O-H...O hydrogen bond. In the crystal, molecules are stacked along [100].
  • Küçük Resim
    Öğe
    1-{5-[(E)-(4-Propylphenyl)diazenyl]-2-hydroxyphenyl}ethanone
    (Acta Crystallographica Section E, 2011) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
    The molecular geometry of the title compound, C17H18N2O2, displays an E configuration with respect to the azo group. The dihedral angle between the aromatic rings is 10.39 (4)°. In the molecule, an intramolecular O-H...O hydrogen bond generates an S(6) ring motif.
  • Küçük Resim
    Öğe
    E)--2--acetyl--4--(4--methoxyphenyldiazenyl) phenol: X--ray and DFT--calculated structure
    (Turkish Journal of Chemistry, 2009) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail Erdem; Şenel, İsmet; Büyükgüngör, Orhan
    The 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.
  • Küçük Resim
    Öğe
    (E)-2-[(2-Ethylphenyl)iminiomethyl]-6-hydroxyphenolate
    (Acta Crystallographica Section E, 2010) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
    The molecule of the title compound, C15H15NO2, crystallizes in a zwitterionic form, and displays an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 5.59 (6)°. An intramolecular N-H...O hydrogen bond generates an S(6) ring motif. In the crystal structure, pairs of molecules are linked into centrosymmetric R22(10) dimers by pairs of O-H...O hydrogen bonds. Aromatic [pi]-[pi] interactions are observed between the benzene rings of adjacent dimers [centroid-centroid distance = 3.4808 (7) Å].
  • Küçük Resim
    Öğe
    (E)-2-[(2-Ethylphenyl)iminomethyl]-6-methoxyphenol
    (Acta Crystallographica Section E, 2010) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
    The molecule of the title compound, C16H17NO2, adopts the phenol-imine tautomeric form with a strong intramolecular O-H...N hydrogen bond and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 21.23 (9)°. The ethyl group is disordered over two orientations with occupancies of 0.598 (6) and 0.402 (6). In the crystal, the molecules are linked into chains along the b axis by C-H...[pi] interactions.
  • Küçük Resim
    Öğe
    (E)-2-Acetyl-4-[(3-methylphenyl)diazenyl]phenol: an X-ray and DFT study
    (Acta Crystallographica Section E, 2010) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
    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.
  • Küçük Resim
    Öğe
    (E)-2-Hydroxy-6-[(4-propylphenyl)iminiomethyl]phenolate
    (Acta Crystallographica Section E, 2009) Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan
    The title compound, C16H17NO2, crystallizes with three crystallographically independent zwitterionic molecules in the asymmetric unit which differ significantly in the orientations of the propyl side chains. The dihedral angles between the two benzene rings in the three molecules are 6.17 (7), 6.75 (7) and 23.67 (7)°, respectively. In each independent molecule, an intramolecular N-H...O hydrogen bond generates an S(6) ring motif. In the crystal, each independent molecule exists as part of an O-H...O hydrogen-bonded centrosymmetric R22(10) dimer.