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Prevalent polymorphism in benzophenones.

Antonia A Soqaka1, Catharine Esterhuysen2, Andreas Lemmerer1

  • 1Molecular Sciences Institute, School of Chemistry, University of the Witwatersrand, Private Bag 3, Johannesburg, Gauteng, PO Wits 2050, South Africa.

Acta Crystallographica. Section C, Structural Chemistry
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Summary
This summary is machine-generated.

This study details crystal structures of benzophenone derivatives, revealing that polymorph differences arise mainly from molecular packing, not conformation. Lattice energies are similar across polymorphs, indicating significant polymorphic potential in this compound class.

Keywords:
benzophenonecrystal structurelattice energypolymorphism

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Area of Science:

  • Solid-state chemistry
  • Crystallography
  • Organic chemistry

Background:

  • Polymorphism is crucial in determining material properties.
  • Benzophenone derivatives are widely used in various applications.
  • Understanding crystal packing influences material design.

Purpose of the Study:

  • To investigate the crystal structures of polymorphs of three benzophenone derivatives.
  • To analyze the conformational and packing differences between polymorphs.
  • To assess the lattice energies and polymorphic potential of these compounds.

Main Methods:

  • Isolation of polymorphs via slow evaporation and cocrystallization.
  • Determination of crystal structures using X-ray diffraction.
  • Analysis of molecular packing and conformational variations.

Main Results:

  • Crystal structures of dimorphs of 4-hydroxybenzophenone and 4-(dimethylamino)benzophenone, and trimorphs of 4,4'-dimethylbenzophenone were determined.
  • Polymorphic differences were primarily attributed to variations in crystal packing, with limited conformational changes.
  • Lattice energies for respective polymorphs were within 1 kcal/mol, suggesting accessible polymorphic space.

Conclusions:

  • The study highlights the significance of crystal packing in dictating benzophenone polymorphism.
  • The findings suggest extensive polymorphic potential within this class of compounds.
  • This research provides insights for controlling solid-state properties through crystal engineering.