Synthesis, crystal structure and Hirshfeld surface analysis of N -(4-fluoro-phen-yl)- N -isopropyl-2-(methyl-sulfon-yl)acetamide
The synthesis and crystal structure of the title compound, C H FNO S, 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 methyl-sulfonyl s...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2023-05, Vol.79 (Pt 5), p.512-515 |
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Hauptverfasser: | , , , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | The synthesis and crystal structure of the title compound, C
H
FNO
S, 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 methyl-sulfonyl substituent relative to the amide group is 106.91 (11)°. In the crystal, inversion-related mol-ecules form dimers as a result of pairwise C-H⋯O hydrogen bonds, which appear to be reinforced by short O⋯π contacts [O⋯
= 3.0643 (11) Å]. A Hirshfeld surface analysis was used to qu-antify the various types of inter-molecular contacts, which are dominated by H atoms. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989023003675 |