New 16-membered macrocyclic Schiff base: synthesis, structural and FT-IR studies

0510473 - FZÚ 2020 RIV IR eng J - Journal Article
Khalaji, A.D. - Goran, S.H. - Mehrani, S. - Fejfarová, Karla - Dušek, Michal
New 16-membered macrocyclic Schiff base: synthesis, structural and FT-IR studies.
Iranian Chemical Communication. Roč. 5, č. 2 (2017), s. 186-194. ISSN 2423-4958
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 : macrocyclic * Schiff base * single crystal * DFT calculations * monoclinic
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Method of publishing: Open access

In this paper, the structure of a new 16-membered macrocyclic Schiff base compound N,N′-(3,3′-dimethoxy-2,2′-(propane-1,3-diyldioxy)dibenzylidene)propane-1,3-diamine, C22H26N2O4 (1), derived from 1,3-propanediamine and 3,3′-dimethoxy-2,2′-(propane-1,3-diyldioxy)dibenzaldehyde has been studied by single crystal X-ray diffraction, DFT calculations at B3LYP/6-31G** and FT-IR spectroscopy. The title compound was crystallized in the monoclinic space group P21/n. The optimized molecular geometry agrees closely to that obtained from single crystal X-ray crystallography. The FT-IR spectrum (400 0-400 cm-1) was recorded and compared with that of the calculated spectrum.

Permanent Link: http://hdl.handle.net/11104/0300952