2,2-Dichloro-<i>N</i>-{[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide

Cheng, Jing; Wang, Neng-Xue; Yang, Guang‐Fu

doi:10.1107/s1600536805031831

Acta Cryst E

2005

DOI: 10.1107/s1600536805031831

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2,2-Dichloro-N-{[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide

Jing Cheng

Neng-Xue Wang

Guang‐Fu Yang

Abstract: Key indicatorsSingle-crystal X-ray study T = 292 K Mean (C-C) = 0.006 Å Disorder in main residue R factor = 0.053 wR factor = 0.155 Data-to-parameter ratio = 14.5For details of how these key indicators were automatically derived from the article, see

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

Geetha¹,

Kumar²,

Kumar³

et al. 2023

Acta Cryst E

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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.

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

Geetha¹,

Kumar²,

Kumar³

et al. 2023

Acta Cryst E

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2,2-Dichloro-N-{[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide

Abstract: Key indicatorsSingle-crystal X-ray study T = 292 K Mean (C-C) = 0.006 Å Disorder in main residue R factor = 0.053 wR factor = 0.155 Data-to-parameter ratio = 14.5For details of how these key indicators were automatically derived from the article, see

Cited by 1 publication

References 2 publications

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

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

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