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

SYSNO ASEP	0448321
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Synthesis, characterization, crystal structure and theoretical studies of new chiral Schiff base (E)-4-hydroxy[(1-phenylethyl)iminomethyl]benzyne
Author(s)	Khalaji, A.D. (IR) Gholinejad, M. (IR) Rad, S.M. (IR) Grivani, G. (IR) Fejfarová, Karla (FZU-D) Dušek, Michal (FZU-D)_{RID, ORCID, SAI}
Source Title	Research on Chemical Intermediates. - : Springer - ISSN 0922-6168 Roč. 41, č. 3 (2015), 1635-1645
Number of pages	11 s.
Language	eng - English
Country	NL - Netherlands
Keywords	Schiff base ; crystal structure ; DFT calculation
Subject RIV	BM - Solid Matter Physics ; Magnetism
R&D Projects	GC202/07/J007 GA ČR - Czech Science Foundation (CSF)
Institutional support	FZU-D - RVO:68378271
UT WOS	000350344700030
EID SCOPUS	84923702567
DOI	10.1007/s11164-013-1299-5
Annotation	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.
Workplace	Institute of Physics
Contact	Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
Year of Publishing	2016

Number of the records: 1