Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-fluoro­phen­yl)-N-iso­propyl-2-(methyl­sulfon­yl)acetamide

Geetha, D. and Anil Kumar, H. G. and Mohan Kumar, T. M. and Srinivasa, G. R. and Basavaraju, Y. B. and Yathirajan, H. S. and Parkin, Sean (2023) Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-fluoro­phen­yl)-N-iso­propyl-2-(methyl­sulfon­yl)acetamide. Acta Crystallographica Section E, 79 (5). pp. 512-515. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S2056989023003675

Abstract

The synthesis and crystal structure of the title compound, C12H16FNO3S, which is related to the herbicide flufenacet, are presented. The dihedral angle between the amide group and the fluorinated benzene ring is 87.30 (5)° and the N—C—C—S torsion angle defining the orientation of the methyl­sulfonyl substituent relative to the amide group is 106.91 (11)°. In the crystal, inversion-related mol­ecules form dimers as a result of pairwise C—H⋯O hydrogen bonds, which appear to be reinforced by short O⋯π contacts [O⋯Cg = 3.0643 (11) Å]. A Hirshfeld surface analysis was used to qu­antify the various types of inter­molecular contacts, which are dominated by H atoms.

Item Type: Article
Uncontrolled Keywords: N-(substituted phenyl)acetamide, flufenacet metabolite, crystal structure, Hirshfeld surface analysis
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 29 Apr 2023 04:00
Last Modified: 29 Apr 2023 04:00
URI: http://eprints.uni-mysore.ac.in/id/eprint/17478

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