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Lithium aspirinate hemihydrate.

Jean-Baptiste Arlin1, Fiona Addison, Alan R Kennedy

  • 1WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland. jeanbaptiste.arlin@strath.ac.uk

Acta Crystallographica. Section C, Crystal Structure Communications
|December 7, 2007
PubMed
Summary
This summary is machine-generated.

This study details the crystal structure of the lithium salt of aspirin (acetylsalicylic acid) as a hemihydrate. It reveals a unique 1D coordination chain structure formed by lithium ions, aspirin molecules, and water.

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Area of Science:

  • Coordination chemistry
  • Materials science
  • Solid-state chemistry

Background:

  • Aspirin (acetylsalicylic acid) is a widely used medication.
  • Lithium salts have various applications, including in batteries and mood stabilization.
  • Understanding the solid-state structure of drug salts can impact formulation and delivery.

Purpose of the Study:

  • To characterize the crystal structure of the lithium salt of aspirin hemihydrate.
  • To elucidate the coordination network and hydrogen bonding in the compound.
  • To provide insights into the supramolecular assembly of pharmaceutical salts.

Main Methods:

  • Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
  • Analysis of coordination bonds and hydrogen bond networks.
  • Spectroscopic methods may be employed for further characterization (though not explicitly stated in the abstract).

Main Results:

  • The title compound is catena-poly[lithium(I)-mu3-acetylsalicylato-hemi-mu2-aqua], a hemihydrate of the lithium salt of aspirin.
  • A one-dimensional coordination chain is formed by bridging carboxylate groups and water molecules between lithium atoms.
  • Two distinct ring types exist within the coordination chain, with the water oxygen on a twofold axis.
  • Hydrogen bonding links these chains into a sheet structure.

Conclusions:

  • The lithium salt of aspirin forms a 1D coordination polymer chain structure in its hemihydrate form.
  • The crystal structure is stabilized by both coordination bonds and intermolecular hydrogen bonding.
  • This detailed structural information is crucial for understanding the physical properties and potential applications of this pharmaceutical salt.