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Phenanthrene-9-carboxylic acid

L J Fitzgerald1, R E Gerkin

  • 1Department of Chemistry, Ohio State University, Columbus 43210, USA.

Acta Crystallographica. Section C, Crystal Structure Communications
|October 6, 1997
PubMed
Summary
This summary is machine-generated.

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This study details the crystal structure of a C15H10O2 compound, revealing cyclic dimer hydrogen bonding and a nearly planar phenanthrene core. The carboxyl group

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Understanding the molecular packing and intermolecular interactions of organic compounds is crucial for predicting their physical properties.
  • Phenanthrene derivatives are of interest due to their unique electronic and structural characteristics.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound (C15H10O2).
  • To investigate the hydrogen bonding patterns and molecular geometry.

Main Methods:

  • Single-crystal X-ray diffraction analysis.
  • Crystal structure determination and refinement.
  • Analysis of hydrogen bonding and molecular planarity.

Main Results:

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  • The compound crystallized in the centrosymmetric space group C2/c.
  • Cyclic dimer hydrogen bonding was observed around a center of symmetry.
  • The phenanthrene core exhibited near planarity with a small dihedral angle (1.8°) to the carboxyl group.
  • Refinement indicated bay hydrogens (H4, H5) near the core plane, though with limited statistical significance.

Conclusions:

  • The crystal structure provides detailed insights into the solid-state arrangement of this phenanthrene derivative.
  • The observed hydrogen bonding and near-planar geometry influence the compound's packing and potential intermolecular interactions.