new 16-membered macrocyclic schiff base: synthesis, structural and ft-ir studies

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.