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Biphenyl-2-carboxylic acid: a layered structure

A J Dobson1, R E Gerkin

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

Acta Crystallographica. Section C, Crystal Structure Communications
|July 24, 1998
PubMed
Summary

This study details the crystal structure of a biphenyl monocarboxylic acid, revealing unique hydrogen-bonded dimers and significant molecular twists. The findings offer insights into the packing and bonding characteristics of this compound.

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Area of Science:

  • Crystallography
  • Solid-state chemistry
  • Organic chemistry

Background:

  • Biphenyl monocarboxylic acids are important organic compounds.
  • Understanding their crystal structures is key to predicting their properties.
  • Previous studies have characterized related compounds.

Purpose of the Study:

  • To elucidate the detailed crystal structure of a specific biphenyl monocarboxylic acid.
  • To analyze hydrogen bonding patterns and molecular conformation.
  • To compare the structure with other known biphenyl monocarboxylic acids.

Main Methods:

  • Single-crystal X-ray diffraction was employed.
  • The crystal structure was solved and refined.
  • Geometric parameters such as bond distances, angles, and torsion angles were analyzed.

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Main Results:

  • The title compound (C13H10O2) crystallizes in the P2(1)/c space group.
  • Four molecules form two pairs of cyclic hydrogen-bonded dimers, not centered on symmetry centers.
  • Significant biphenyl twist angles (46.5-52.5°) and dihedral angles (43.6-50.9°) were observed, differing from related structures.
  • The crystal structure exhibits a layered arrangement parallel to the ab plane.

Conclusions:

  • The crystal structure of this biphenyl monocarboxylic acid is characterized by ordered hydrogen-bonded dimers and distinct molecular conformations.
  • These structural features differentiate it from other biphenyl monocarboxylic acids.
  • The layered structure may influence the material's bulk properties.