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Quinoline-4-carboxylic acid

A J Dobson1, R E Gerkin

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

Acta Crystallographica. Section C, Crystal Structure Communications
|January 28, 1999
PubMed
Summary
This summary is machine-generated.

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This study details the crystal structure of a quinoline carboxylic acid derivative, revealing its specific molecular arrangement and hydrogen bonding. Comparisons are drawn to related compounds for further structural insights.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Molecular Structure

Background:

  • Understanding the three-dimensional arrangement of organic molecules is crucial for predicting their properties and reactivity.
  • Quinoline carboxylic acids are a class of compounds with potential applications in various fields, necessitating detailed structural characterization.

Purpose of the Study:

  • To elucidate the crystal structure of the title compound, C10H7NO2.
  • To analyze the hydrogen bonding interactions and molecular conformation.
  • To compare the structure with related quinoline carboxylic acid derivatives.

Main Methods:

  • Single crystal X-ray diffraction was employed to determine the crystal structure.
  • The crystal system and space group were identified as centrosymmetric P2(1)/c.

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  • Hydrogen bond analysis and dihedral angle measurements were performed.

    • Main Results:

    • The title compound crystallized in the P2(1)/c space group with one molecule per asymmetric unit.
    • A single intramolecular hydrogen bond (O-H...N) was observed with a distance of 2.596 (1) Å.
    • The dihedral angle between the quinoline core and carboxyl plane was determined to be 45.9 (1) degrees.

    Conclusions:

    • The crystal structure provides a detailed understanding of the molecular packing and intermolecular interactions.
    • The ordered carboxylic hydrogen atom and specific dihedral angle influence the compound's conformation.
    • Structural comparison with 2-phenylquinoline-4-carboxylic acid offers insights into structure-property relationships.