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9-Bromo-9-borafluorene.

Alexander Hübner1, Hans-Wolfram Lerner, Matthias Wagner

  • 1Institut für Anorganische Chemie der Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, D-60438 Frankfurt am Main, Germany.

Acta Crystallographica. Section E, Structure Reports Online
|May 18, 2011
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of a boron-containing compound, C(12)H(8)BBr. Three planar molecules were observed in the asymmetric unit, exhibiting a rigid structure with no conformational variations and a herringbone crystal packing arrangement.

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Area of Science:

  • Organoboron chemistry
  • Crystallography
  • Solid-state chemistry

Background:

  • Understanding the structural properties of organoboron compounds is crucial for developing new materials.
  • Boron-containing molecules exhibit unique electronic and structural characteristics.
  • Crystal structure analysis provides fundamental insights into molecular arrangement and intermolecular interactions.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C(12)H(8)BBr.
  • To investigate the molecular planarity and conformational rigidity of the compound.
  • To describe the observed crystal packing motif.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the crystal structure.
  • Analysis of the asymmetric unit revealed the presence of three molecules.
  • Root-mean-square (r.m.s.) deviations were calculated to assess molecular planarity.

Main Results:

  • The title compound, C(12)H(8)BBr, crystallizes with three essentially planar molecules in the asymmetric unit.
  • The molecules exhibit minimal r.m.s. deviations (0.018–0.021 Å), indicating high planarity.
  • The crystal structure displays a characteristic herringbone packing pattern.

Conclusions:

  • The title compound possesses a rigid, planar molecular structure.
  • The observed crystal packing is consistent with intermolecular interactions in the solid state.
  • The structural data provides a foundation for further studies on the properties and applications of this organoboron compound.