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Related Experiment Videos

9-Allyl-9H-fluoren-9-ol.

Kyle S Knight1, Harvey B Wood1

  • 1Department of Chemistry, The University of Tennessee at Chattanooga, Chattanooga, TN 37403, USA.

Acta Crystallographica. Section E, Structure Reports Online
|June 19, 2014
PubMed
Summary
This summary is machine-generated.

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This study reveals distinct allyl group orientations in two independent C16H14O molecules. Crystal analysis shows these molecules form centrosymmetric tetramers via hydrogen bonds.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Supramolecular Chemistry

Background:

  • The title compound, C16H14O, was investigated for its structural properties.
  • Understanding molecular arrangements and intermolecular interactions is crucial in crystal engineering.

Purpose of the Study:

  • To elucidate the crystal structure of C16H14O.
  • To analyze the molecular conformation and hydrogen bonding network.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.
  • Analysis of torsion angles and hydrogen bond geometry was performed.

Main Results:

  • The asymmetric unit contains two independent C16H14O molecules with differing allyl group orientations.

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  • The O-C-C(H2)-C(H) torsion angles were found to be -61.01°(13) and -177.43°(10).
  • A centrosymmetric tetramer was formed through O-H⋯O hydrogen bonds, with each hydroxyl group acting as both donor and acceptor.
  • Conclusions:

    • The crystal structure of C16H14O exhibits conformational isomerism in the allyl groups.
    • Intermolecular hydrogen bonding plays a significant role in organizing the crystal lattice, forming supramolecular tetrameric assemblies.