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

0448321 - FZÚ 2016 RIV NL eng J - Článek v odborném periodiku
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. E-ISSN 1568-5675
Grant CEP: GA ČR(CZ) GC202/07/J007
Institucionální podpora: RVO:68378271
Klíčová slova: Schiff base * crystal structure * DFT calculation
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 1.833, rok: 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.
Trvalý link: http://hdl.handle.net/11104/0250057