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

Mohammed, Yasser Hussein Issa and Naveen, S. and Issa, Hamid Hussein and Manjunath, H. R. and Lokanath, N. K. and Khanum, Shaukath Ara (2016) Synthesis, characterization, hirshfeld analysis, crystal and molecular structure studies of 2,6-difluoro phenoxy acetic acid. Der Pharma Chemica, 8 (2). pp. 286-29. ISSN 975-413X

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Abstract

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)oand 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 R22(8) ring motif. Hirshfeld analysis was carried out in order to understand the packing pattern and intermolecular interactions.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Yuvaraj college > Chemistry
Depositing User: manjula User
Date Deposited: 14 Jun 2019 08:04
Last Modified: 14 Jun 2019 08:04
URI: http://eprints.uni-mysore.ac.in/id/eprint/3089

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