One Dimensional Hydrogen Bonded Arrangement in New Schiff-Base Compound (E)-2-(2,5-dimethoxybenzylideneamino)phenol (1): Synthesis, Characterization, Crystal Structure and Conformational Studies

New Schiff-base compound ( E )-2-(2,5-dimethoxybenzylideneamino)phenol ( 1 ) was synthesized and characterized by elemental analyses, FT-IR and 1 H-NMR spectroscopy and single crystal X-ray diffraction. Molecular orbital calculation has been carried out for 1 by using HF method at 6-31G basis set. The title compound 1 crystallizes in monoclinic system, space group C2/c, with a = 19.4581(13) Å, b = 9.5805(5) Ǻ, c = 13.8431(7) Ǻ, β = 93.471(2)°, V = 2575.9(3) Ǻ 3 and Z = 8. In the crystal structure two molecules are stabilized by a pair of intermolecular O1–H1···N1 i hydrogen bonds. The dimeric units are further linked via C6–H6···O3 ii hydrogen bond. Graphical Abstract New Schiff-base compound ( E )-2-(2,5-dimethoxybenzylideneamino)phenol ( 1 ) was synthesized. Molecular orbital calculation has been carried out for 1 by using HF method at 6-31G basis set. The crystals structure of 1 was determined by X-ray crystallography from single-crystal data and displays a trans configuration about the C=N double bond. In the crystal structure two molecules are stabilized by a pair of intermolecular O1–H1···N1 i hydrogen bonds. The dimeric units are further linked via C6–H6···O3 ii hydrogen bond.