Dehno Khalaji, A., Hafez Goran, S., Mehrani, S., Fejfarova, K., Dusek, M. (2017). New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies. Iranian Chemical Communication, 5(Issue 2, pp. 121-236), 186-194.
Aliakbar Dehno Khalaji; Salar Hafez Goran; Sepideh Mehrani; Karla Fejfarova; Michal Dusek. "New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies". Iranian Chemical Communication, 5, Issue 2, pp. 121-236, 2017, 186-194.
Dehno Khalaji, A., Hafez Goran, S., Mehrani, S., Fejfarova, K., Dusek, M. (2017). 'New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies', Iranian Chemical Communication, 5(Issue 2, pp. 121-236), pp. 186-194.
Dehno Khalaji, A., Hafez Goran, S., Mehrani, S., Fejfarova, K., Dusek, M. New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies. Iranian Chemical Communication, 2017; 5(Issue 2, pp. 121-236): 186-194.
New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies
1Department of Chemistry, Faculty of Science, Golestan University, Gorgan, Iran
2Institute of Physic of the Czech Academy of Sciences, Na Slovance 2, 182 21 Prague 8, Czech Republic
Abstract
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 crystallizes in the monoclinic space group P21/n with unit cell parameters: a = 16.3273 (5) Å, b = 7.0832 (2) Å, c = 16.8586 (4) Ǻ, β = 93.135 (2)°, V = 1946.77 (9) Å3 and Z=4. The optimized molecular geometry agrees closely to that obtained from single crystal X-ray crystallography. The FT-IR spectrum (4000-400 cm-1) was recorded and compared with that of the calculated spectrum.
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