New 16-membered macrocyclic Schiff base: Synthesis, structural and FT-IR studies
Journal: Iranian Chemical Communication (Vol.5, No. 2)Publication Date: 2017-04-01
Authors : Aliakbar Dehno Khalaji; Salar Hafez Goran; Sepideh Mehrani; Karla Fejfarova; Michal Dusek;
Page : 186-194
Keywords : Macrocyclic; Schiff base; single crystal; DFT calculations; monoclinic;
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.
Other Latest Articles
- Development and application of a new sensitive spectrophotometric-multivariate calibration method to the simultaneous determination of hydrazine and acetylhydrazine using silver nanoparticles
- Highly efficient synthesis of tetrahydrobenzo[b]pyrans under visible light promoted by cesium carbonate
- A clean and highly efficient synthesis of oxindole substituted pyrrolo[2,3-d]Pyrimidines under ultrasound irradiation
- A Facile and environmental friendly method for C=N bond cleavage of imines using p-toluenesulfonic acid in solid State
- Sliding wear behaviour of walnut shell powder filled vinyl Ester/ WSP green composites
Last modified: 2019-06-26 14:20:01