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6-Fluoro-indan-1-one.

Benjamin R Slaw1, Joseph M Tanski1

  • 1Department of Chemistry, Vassar College, Poughkeepsie, NY 12604, USA.

Acta Crystallographica. Section E, Structure Reports Online
|September 25, 2014
PubMed
Summary
This summary is machine-generated.

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This study details the crystal structure of a fluorinated organic compound (C9H7FO). Molecules form sheets in the crystal lattice through specific intermolecular interactions, revealing insights into solid-state packing.

Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Organic fluorine compounds

Background:

  • Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
  • Fluorinated organic compounds exhibit unique electronic and structural characteristics due to fluorine's high electronegativity.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C9H7FO.
  • To analyze the molecular geometry and intermolecular interactions within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.
  • Analysis of bond lengths, molecular planarity (r.m.s. deviations), and intermolecular interactions (C-H⋯O, C-H⋯F, F⋯F contacts).
Keywords:
crystal structure

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Main Results:

  • The title compound (C9H7FO) crystallizes with two independent molecules in the asymmetric unit.
  • The five-membered ring in each molecule is nearly planar (r.m.s. deviations of 0.016 and 0.029 Å).
  • Molecules form sheets parallel to the (1 0 0) plane via C-H⋯O and C-H⋯F interactions, with significant F⋯F contacts between sheets.

Conclusions:

  • The crystal packing of C9H7FO is governed by a combination of hydrogen bonding and fluorine-fluorine interactions.
  • The observed planarity of the five-membered ring and the specific intermolecular contacts provide insights into the solid-state behavior of this fluorinated compound.