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9,10-Dibromo-phenanthrene.

Ruri Yokota1, Chitoshi Kitamura, Takeshi Kawase

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Acta Crystallographica. Section E, Structure Reports Online
|January 4, 2013
PubMed
Summary

This study details the crystal structure of a dibrominated organic compound (C14H8Br2). Molecules exhibit near-planar geometry and form anti-parallel pi-pi stacking interactions in the solid state.

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Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Organic chemistry

Background:

  • Understanding molecular packing and intermolecular interactions is crucial in solid-state chemistry.
  • The study of halogenated organic compounds provides insights into structure-property relationships.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C14H8Br2.
  • To investigate the intermolecular interactions, specifically pi-pi stacking, in the crystalline state.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of crystallographic data to identify symmetry elements and intermolecular distances.

Main Results:

  • The molecule C14H8Br2 exhibits near-planarity with a maximum deviation of 0.0355(7) Å.
  • Crystallographic twofold (C2) symmetry was observed.
  • Molecules form face-to-face, slipped, anti-parallel pi-pi stacking interactions along the c axis.
  • Inter-planar distances were measured at 3.471(7) Å, with centroid-centroid distances ranging from 3.617(5) to 3.803(6) Å.

Conclusions:

  • The crystal structure of C14H8Br2 is characterized by planar molecules and significant pi-pi stacking.
  • These findings contribute to the understanding of molecular assembly in organic crystals.