Počet záznamů: 1
Synthesis, characterization, crystal structure and theoretical studies on 4-bromo-2-[(E)-6-methyl-2-pyridyliminomethyl]phenol
- 1.0485349 - FZÚ 2018 RIV SA eng J - Článek v odborném periodiku
Khalaji, A.D. - Mighani, H. - Kazemnejadi, M. - Gotoh, K. - Ishida, H. - Fejfarová, Karla - Dušek, Michal
Synthesis, characterization, crystal structure and theoretical studies on 4-bromo-2-[(E)-6-methyl-2-pyridyliminomethyl]phenol.
Arabian Journal of Chemistry. Roč. 10, May (2017), s. 1808-1813. ISSN 1878-5352. E-ISSN 1878-5379
Grant ostatní: AV ČR(CZ) AP0701
Program: Akademická prémie - Praemium Academiae
Institucionální podpora: RVO:68378271
Klíčová slova: Schiff base * single-crystal * spectroscopy * DFT * hydrogen bond
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 2.969, rok: 2017
The Schiff base compound, 4-bromo-2-[(E)-6-methyl-2-pyridyliminomethyl]phenol, has
been synthesized by a reaction of 5-bromosalicylaldehyde with 6-methyl-2-aminopyridine and characterized by elemental analyses, 1H-NMR spectroscopy and X-ray single-crystal diffraction. The molecular geometry obtained from X-ray crystallography has been compared with that of the title compound in the ground state calculated by using the density function method with 6/31G basis set. Calculated results show that DFT can well reproduce the structure of the title compound.
Trvalý link: http://hdl.handle.net/11104/0280405
Počet záznamů: 1