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Related Experiment Videos

Coumarin-3-carboxylic acid

A J Dobson1, R E Gerkin

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

Acta Crystallographica. Section C, Crystal Structure Communications
|December 15, 1996
PubMed
Summary
This summary is machine-generated.

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This study reveals that intramolecular hydrogen bonds and intermolecular C-H...O interactions in a specific compound contribute to its high density. These molecular forces are key to understanding the material's physical properties.

Area of Science:

  • Crystallography
  • Molecular interactions
  • Physical chemistry

Background:

  • Understanding the relationship between molecular structure and bulk properties like density is crucial in materials science.
  • Monocarboxylic acids exhibit diverse packing arrangements influenced by hydrogen bonding and van der Waals forces.

Purpose of the Study:

  • To investigate the structural features and intermolecular interactions of the title compound (C10H6O4).
  • To correlate observed molecular interactions with the compound's measured density.

Main Methods:

  • Single crystal X-ray diffraction was used to determine the molecular structure.
  • Analysis of hydrogen bonding and other non-covalent interactions was performed.
  • Density was measured and compared with structural findings.

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Main Results:

  • The crystal structure of C10H6O4 features a single intramolecular hydrogen bond.
  • Significant intermolecular C-H...O attractive interactions were identified.
  • The compound exhibits a high density of 1.522 Mg m(-3), partly explained by these interactions.

Conclusions:

  • Intramolecular hydrogen bonding and intermolecular C-H...O interactions play a significant role in the crystal packing of C10H6O4.
  • These interactions contribute to the observed high density, providing insights into structure-property relationships.