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Studying Soft-matter and Biological Systems over a Wide Length-scale from Nanometer and Micrometer Sizes at the Small-angle Neutron Diffractometer KWS-2
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Diffuse scattering study of aspirin forms (I) and (II).

E J Chan1, T R Welberry, A P Heerdegen

  • 1Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australia.

Acta Crystallographica. Section B, Structural Science
|November 25, 2010
PubMed
Summary

This study reveals aspirin form II is a distinct polymorph. Diffuse scattering data show it contains defects and strain, unlike form I.

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Area of Science:

  • Solid-state chemistry
  • Crystallography
  • Materials science

Background:

  • Polymorphism in pharmaceuticals like aspirin is crucial for drug properties.
  • Understanding crystal structures and defects is key to controlling material behavior.

Purpose of the Study:

  • To investigate the structural differences between aspirin polymorphic forms I and II.
  • To analyze the nature of defects and strain in aspirin form II using diffuse scattering.

Main Methods:

  • Collected full three-dimensional diffuse scattering data for aspirin forms I and II.
  • Analyzed scattering data using Monte Carlo computer modeling.

Main Results:

  • Aspirin form I scattering is explained by thermal displacements.
  • Aspirin form II exhibits thermal diffuse scattering plus diffuse streaks from stacking faults and strain.
  • Form II crystals consist of large domains with planar defects, distinct from form I.

Conclusions:

  • Aspirin form II is a true polymorph with a unique structure.
  • Defects in form II cause strain due to molecular packing mismatches.
  • Small regions of form I structure may form within form II due to defect aggregation.