Back close

Synthesis, Crystal Structure and Hirshfeld Surface Analysis of N-(4-fluorophenyl)-N-isopropyl-2-(methylsulfonyl)acetamide

Publication Type : Journal Article

Publisher : Acta Crystallographica

Source : International Union of Crystallography

Campus : Bengaluru

School : School of Engineering

Year : 2023

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.

Cite this Research Publication : D. Geetha, H. G. Anil Kumar, T. M. Mohan Kumar, G. R. Srinivasa, Y. B. Basavaraju, H. S. Yathirajan and S. Parkin,” Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-fluorophenyl)-N-isopropyl-2-(methylsulfonyl)acetamide” Acta Crystallographica, vol. E79, pp. 512-515, 2023

Admissions Apply Now