Structural Elucidation, Synthesis, Characterization and Hirshfeld Surface Analysis of ethyl 2-(2-bromophenoxy)acetate

Abstract

The title compound, ethyl 2-(2-bromophenoxy)acetate was synthesized in good yield by refluxing O-bromophenol with ethyl chloroacetate in the presence of K2CO3 in anhydrous acetone. The product obtained was characterized by spectroscopic techniques and finally the structure was confirmed by X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with the space group P21/n with unit cell parameters a = 5.3473(3) Å, b = 26.7605(15) Å, c = 7.9862(5) Å, β = 107.796(4)o and Z=4. The crystal packing exhibits intermolecular C— H...O hydrogen bonds forming a infinite linear chain propagating along [100] direction with graph set notation C(4). Hirshfeld surface analysis for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots have been used to examine molecular shapes