Synthesis, characterization, Hirshfeld analysis, crystal and molecular
structure studies of 2,6-difluoro phenoxy acetic acid

Yasser Hussein Issa Mohammed; S. Naveen; Hamid Hussein Issa; H. R. Manjunath; N. K. Lokanath; Shaukath Ara Khanum

Abstract

Synthesis, characterization, Hirshfeld analysis, crystal and molecular structure studies of 2,6-difluoro phenoxy acetic acid

Author(s): Yasser Hussein Issa Mohammed, S. Naveen, Hamid Hussein Issa, H. R. Manjunath, N. K. Lokanath and Shaukath Ara Khanum

The title compound, 2,6-difluoro phenoxy acetic acid was synthesized by refluxing 2,6-difluorophenol with ethyl chloroacetate to achieve 2,6-difluoro phenoxy ethyl acetate, followed by the hydrolysis with sodium hydroxide in presence of ethanol. 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 = 4.2443(3) Å, b = 20.0337(14) Å, c = 9.2243(8) Å, β = 96.258(5)o and Z=4. The structure exhibits both inter and intra-molecular hydrogen bonds of the type C—H...O, O—H...O and C—H...F respectively. In the crystal, adjacent molecules form inversion-related dimers through strong O-H...O hydrogen bonds, generating R2 2(8) ring motif. Hirshfeld analysis was carried out in order to understand the packing pattern and intermolecular interactions.

PDF

Select your language of interest to view the total content in your interested language