Synthesis, structural characterization and computational studies of (E)-4-bromo-2-((3-chlorophenylimino)methyl)-6-ethoxyphenol

Synthesis, crystal structure and computational studies of a new Schiff base compound: (E)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol

“…Prototropic tautomerism emerges from the intramolecular H-atom transfer between an enol-imine (Ö zdemir Tarı et al, 2016) and a keto-amine tautomer (Ö zek et al, 2006). The present work is part of our ongoing studies on Schiff bases (Ö zek Yıldırım et al, 2016(Ö zek Yıldırım et al, , 2017Albayrak et al, 2012). We report herein the synthesis, crystal structure and computational studies of the title compound, (E)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol, obtained from the condensation of 5bromo-3-ethoxy-2-hydroxybenzaldehyde with 2-methoxyaniline.…”

“…survey of the Cambridge Structural Database (CSD, Version 5.37, update May 2017; Groom et al, 2016) for the (E)-4-bromo-2-ethoxy-6-[(methylimino)methyl]phenol unit of the title compound reveals five compounds, viz. OCOVEK (Kaştaş et al, 2017a), OCOVIO (Kaştaş et al, 2017b), OCOVOU (Kaştaş et al, 2017c), OCOVUA(Kaştaş et al, 2017d) and LUWZIO(Ö zek Yıldırım et al, 2016). The molecular structures of the latter two compounds are planar, in which they are similar to the title compound, while the others are not planar.…”

Presence of π…π and C H…π interactions in the new Schiff base 2-{( E )-[(3- tert -butyl-1-phenyl-1 H -pyrazol-5-yl)imino]methyl}phenol: Experimental and DFT computational studies

“…6,7 This family of compounds have widely been studied because of their interesting physicochemical properties related to their structures, this fact, have made them the object of many theoretical and experimental investigations. [8][9] The most important features of the Schiff bases or their metal complexes it can be counted: their catalytic [10][11][12] and biological activities, [13][14][15] their application as metal ion sensors, 16-18 molecular disruptor [19][20][21][22] and also as anti-cancer agents, [23][24] among others.…”