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9,9'-Dibromo-9,9'-bifluorene.

Yoshiyuki Mizuhata1, Norihiro Tokitoh

  • 1Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011, Japan.

Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
PubMed
Summary
This summary is machine-generated.

The study reveals that 9,9'-Dibromo-9,9'-bifluorene adopts a gauche conformation. Its crystal structure is stabilized by C-Br⋯π and C-H⋯π interactions.

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Area of Science:

  • Organic Chemistry
  • Crystallography
  • Supramolecular Chemistry

Background:

  • 9,9 -Dibromo-9,9 -bifluorene is a significant organic compound.
  • Understanding its structural and intermolecular properties is crucial for material science applications.

Purpose of the Study:

  • To elucidate the conformational preferences of 9,9 -Dibromo-9,9 -bifluorene.
  • To investigate the intermolecular interactions governing its crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed.
  • The conformation and intermolecular interactions were analyzed.

Main Results:

  • The molecule exhibits a gauche conformation around the central C-C bond, with a Br-C-C-Br torsion angle of 59.39 (16) °.
  • Crystal structure is stabilized by intermolecular C-Br⋯π interactions (3.299 (2) and 3.369 (2) Å) and weak C-H⋯π interactions (2.86 and 2.99 Å).

Conclusions:

  • The gauche conformation is a key structural feature of 9,9 -Dibromo-9,9 -bifluorene.
  • Specific intermolecular interactions dictate the compound's solid-state arrangement and stability.