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Synthesis, characterization, crystal structure and theoretical studies of new chiral Schiff base (E)-4-hydroxy[(1-phenylethyl)iminomethyl]benzyne

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    0448321 - FZU-D 2016 RIV NL eng J - Journal Article
    Khalaji, A.D. - Gholinejad, M. - Rad, S.M. - Grivani, G. - Fejfarová, Karla - Dušek, Michal
    Synthesis, characterization, crystal structure and theoretical studies of new chiral Schiff base (E)-4-hydroxy[(1-phenylethyl)iminomethyl]benzyne.
    Research on Chemical Intermediates. Roč. 41, č. 3 (2015), 1635-1645. ISSN 0922-6168
    R&D Projects: GA ČR(CZ) GC202/07/J007
    Institutional support: RVO:68378271
    Keywords : Schiff base * crystal structure * DFT calculation
    Subject RIV: BM - Solid Matter Physics ; Magnetism
    Impact factor: 1.833, year: 2015

    New chiral Schiff-base (E)-4-hydroxy[(1-phenylethyl)iminomethyl] benzyne (1) was synthesized and characterized by elemental analyses (CHN), FT-IR, and 1H NMR spectroscopy. The crystal structure of the title compound was determined from single-crystal X-ray diffraction study. The molecular geometry of the title compound has been calculated using the density functional method and compared with the experimental data. In the gas phase, the two conformers (cis and trans) for the title compound were found, with the trans isomer being the most stable one.
    Permanent Link: http://hdl.handle.net/11104/0250057