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Solid state study of hydrogen bonding in dichlorophen crystals.

Philip J Cox1, Nicola M Foote, Stephen M MacManus

  • 1School of Pharmacy, The Robert Gordon University, Schoolhill, Aberdeen AB10 1FR, Scotland, UK. p.j.cox@rgu.ac.uk

International Journal of Pharmaceutics
|December 31, 2003
PubMed
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X-ray crystallography revealed intramolecular and intermolecular hydrogen bonding in dichlorophen. This molecular interaction leads to the formation of dimers within the crystal structure.

Area of Science:

  • Crystallography
  • Molecular structure analysis
  • Chemical physics

Background:

  • Dichlorophen is an organic compound with potential applications in various chemical processes.
  • Understanding the solid-state structure of dichlorophen is crucial for predicting its physical and chemical properties.
  • Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.

Purpose of the Study:

  • To elucidate the crystal structure of dichlorophen using X-ray crystallography.
  • To investigate the presence and nature of hydrogen bonding within the dichlorophen molecule and between molecules.
  • To determine the supramolecular arrangement of dichlorophen in the solid state.

Main Methods:

  • Single-crystal X-ray diffraction was employed to collect diffraction data.

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  • The crystal structure was solved and refined using standard crystallographic software.
  • Analysis of bond lengths, bond angles, and intermolecular contacts was performed to identify hydrogen bonding interactions.

    • Main Results:

    • The X-ray crystallographic study successfully determined the three-dimensional structure of dichlorophen.
    • Intramolecular hydrogen bonding was identified within the dichlorophen molecule.
    • Intermolecular hydrogen bonding was observed between dichlorophen molecules, leading to the formation of dimers in the crystal lattice.

    Conclusions:

    • The crystal structure of dichlorophen is characterized by both intramolecular and intermolecular hydrogen bonding.
    • The observed hydrogen bonding network dictates the formation of dimeric units within the crystal.
    • These findings provide fundamental insights into the solid-state behavior and intermolecular interactions of dichlorophen.