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New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies | ||
| Iranian chemical communication | ||
| مقاله 8، دوره 5، Issue 2, pp. 121-236, Serial No. 15، تیر 2017، صفحه 186-194 اصل مقاله (841.72 K) | ||
| نوع مقاله: Original Research Article | ||
| نویسندگان | ||
| Aliakbar Dehno Khalaji* 1؛ Salar Hafez Goran1؛ Sepideh Mehrani1؛ Karla Fejfarova2؛ Michal Dusek2 | ||
| 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 | ||
| چکیده | ||
| 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. | ||
| کلیدواژه‌ها | ||
| Macrocyclic؛ Schiff base؛ single crystal؛ DFT calculations؛ monoclinic | ||
| مراجع | ||
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