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    Comparative experimental and theoretical studies of N-(4-ethylbenzylidene)-N'-(2-carboxyphenyl) hydrazine novel Schiff base
    (Pergamon - Elsevier Science, 2014) Tunç, Tuncay; Tezcan, Habibe; Sağlam, Semran; Özçelik, Nefise
    In this work, N-(4-Methylbenzylidene)-N'-(2-carboxyphenyl) hydrazine, C15H14N2O2, Schiff base molecule has been synthesized and characterized by elemental analyses, UV-Vis and IR spectroscopy and single crystal X-ray determination. The molecule of the title compound adopt an E configuration about the azomethine C=N double bond. The benzene and phenyl rings are planar and the dihedral angle between the planes is 7.2(2)degrees. The crystal structure is stabilized by intermolecular O-H...O and intramoleculer N-H. ...O hydrogen bonding interactions. X-ray diffraction analyses show that, N-(4-Methylbenzylidene)-N'-(2-carboxyphenyl) hydrazine Schiff base molecule crystallizes in the monoclinic system, P2(1)/c space group, a = 4.392(5) angstrom, b = 22.340(5) angstrom, c = 13.528(5) angstrom, beta = 92.882(5), V= 1325.7(16) angstrom(3), Z= 4. The conformational analysis of N-(4-Methylbenzylidene)-N'-(2-carboxyphenyl) hydrazine was performed by the density functional theory (DFT) B3LYP method using the 6-311++G(d,p) basis set. Also, theoretical values of FTIR and UV-Vis were performed by the same method. The calculated geometry parameters, IR and UV-Vis results were compared with experimental results.
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    Synthesis, crystal structure, and spectroscopic studies of n-(4-bromobenzylidene)-n '-(2-pyridyl) hydrazine schiff base molecule
    (Taylor & Francis Ltd, 2012) Tunç, Tuncay; Tezcan, Habibe; Şahin, Ertan; Dilek, Nefise
    A new Schiff base complex N-(4-bromobenzylidene)-N'-(2-pyridyl) hydrazine, C12H10N3Br, has been synthesized and characterized by elemental analyses, mass, H-1 NMR, ultraviolet-visible (UV-VIS), and IR spectroscopy and single-crystal X-ray determination. The p-Br-benzene and pyridine rings are almost planar and the dihedral angle between the planes is 11.1(3)degrees. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot N-Py hydrogen bonding interaction. X-ray diffraction analyses show that N-(4-bromobenzylidene)-N'-(2-pyridyl) hydrazine Schiff base molecule crystallizes in the monoclinic system, P2(1)/c space group, a = 5.611(5) angstrom, b = 19.566(5) angstrom, c = 10.715(5) angstrom, beta = 98.766(5)degrees, and V = 1162.60(12) angstrom(3).