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Anthracene-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
|January 15, 1997
PubMed
Summary
This summary is machine-generated.

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Anthracene-9-carboxylic acid crystallizes in a centrosymmetric space group, forming cyclic-dimer hydrogen bonds. Its anthracene core is nearly planar, with the carboxyl group angled at approximately 55 degrees.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Materials Science

Background:

  • Anthracene derivatives are important in materials science and organic chemistry.
  • Understanding the crystal structure and intermolecular interactions of such compounds is crucial for predicting their properties.

Purpose of the Study:

  • To determine the crystal structure of anthracene-9-carboxylic acid.
  • To investigate its hydrogen bonding patterns and molecular geometry.

Main Methods:

  • Single-crystal X-ray diffraction was used to analyze the crystal structure.
  • The crystal structure was solved and refined in the P2(1)/n space group.

Main Results:

  • Anthracene-9-carboxylic acid (C15H10O2) crystallizes in the centrosymmetric space group P2(1)/n.

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  • The compound exhibits cyclic-dimer hydrogen bonding centered on a symmetry element.
  • The anthracene core is nearly planar, with a dihedral angle of 54.87(6) degrees between the carboxyl group and the anthracene core.
  • Conclusions:

    • The crystal structure of anthracene-9-carboxylic acid has been elucidated.
    • The observed hydrogen bonding and molecular geometry provide insights into the solid-state behavior of this anthracene derivative.