New asymmetric and symmetric 2-((pyridin-4-yl)methylenamino)-3 aminomaleo nitrile and 2,3-bis((pyridin-4-yl)methylenamino) maleonitrile Schiff bases: synthesis, experimental characterization along with theoretical studies

0497752 - FZÚ 2019 RIV NL eng J - Journal Article
Zare, N. - Zabardasti, A. - Dušek, Michal - Eigner, Václav
New asymmetric and symmetric 2-((pyridin-4-yl)methylenamino)-3 aminomaleo nitrile and 2,3-bis((pyridin-4-yl)methylenamino) maleonitrile Schiff bases: synthesis, experimental characterization along with theoretical studies.
Journal of Molecular Structure. Roč. 1163, July (2018), s. 388-396. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA ČR(CZ) GA15-12653S; GA MŠMT(CZ) LO1603
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : Schiff base * x-ray diffraction * DFT calculations * 4-pyridine carboxaldehyde
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.120, year: 2018

Two novel Schiff bases 2-((pyridin-4-yl)methelenamino)-3-aminomaleonitrile (L1) and 2,3-bis((pyridinyl) methylenamino)maleonitrile (L2) were synthesized by the condensation of 2,3-diaminomaleonitrile and 4-pyridine carboxaldehyde using the reflux in absolute methanol. The light yellow crystalline precipitates of L1 were used for single-crystal X-ray crystallography. Two ligans L1 and L2 were characterized by UVeVis, FT-IR and 1H/13C NMR spectroscopy. Also the FT-IR, 1H NMR and 13C NMR spectra of the compounds were calculated at the B3LYP/6-31 þ G(d) level of theory.

Permanent Link: http://hdl.handle.net/11104/0290258