Hirshfeld Surface Analysis and Crystal Structure of [2-Bromo-4-(4-Fluoro-Benzoyl)-Phenoxy]-Acetic Acid Ethyl Ester

Latha Rani, N. and Prashanth, T. and Sridhar, M. A. and Lakshmi Ranganatha, V. and Shaukath Ara Khanum (2016) Hirshfeld Surface Analysis and Crystal Structure of [2-Bromo-4-(4-Fluoro-Benzoyl)-Phenoxy]-Acetic Acid Ethyl Ester. Molecular Crystals and Liquid Crystals, 629 (1). pp. 78-85.

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Official URL: https://doi.org/10.1080/15421406.2015.1106908


The title compound C17H14BrFO4 was synthesized using 3-Bromo-4-hydroxy-phenyl-(4-fluoro-phenyl)-methanone, ethyl chloroacetate, and anhydrous potassium carbonate. Its structure was established using elemental analysis, NMR, and single crystal X-ray diffraction techniques. The compound crystallizes in orthorhombic crystal system and space group Pbca. The cell parameters are a = 10.1444(13) Å, b = 8.2781(10) Å, c = 38.423(5) Å, Z = 8, V = 3226.6(7) Å3. The dihedral angle between two least squares planes of two phenyl rings bridged by keto carbonyl group is −28.2(5)°. The molecule exhibits intermolecular interactions of the type C‒H…F and C‒H…O. The intercontacts in the crystal structure are

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Physics
Depositing User: Manjula P Library Assistant
Date Deposited: 13 Jun 2019 11:44
Last Modified: 24 Nov 2022 06:12
URI: http://eprints.uni-mysore.ac.in/id/eprint/3024

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