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The Crystal Structure and Intermolecular Interactions in Fenamic Acids-Acridine Complexes.

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New drug complexes of fenamic acids with acridine were synthesized. Crystal structures reveal intermolecular hydrogen bonds and pi-stacking interactions, enhancing pharmaceutical properties.

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Area of Science:

  • Medicinal Chemistry
  • Crystallography
  • Computational Chemistry

Background:

  • Pharmaceutical properties of drugs can be improved by synthesizing complexes with other chemical substances.
  • Fenamic acid derivatives are non-steroidal anti-inflammatory drugs (NSAIDs) with potential for complex formation.

Purpose of the Study:

  • To synthesize and characterize new crystalline complexes of fenamic acid derivatives with acridine.
  • To investigate the intermolecular interactions stabilizing these complexes using X-ray crystallography and theoretical methods.

Main Methods:

  • Synthesis of fenamic acid-acridine complexes.
  • X-ray diffraction analysis to determine crystal structures.
  • Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) analyses.

Main Results:

  • Crystalline complexes of fenamic acid, mefenamic acid, tolfenamic acid, and flufenamic acid with acridine were successfully obtained.
  • The crystal structures are primarily stabilized by intermolecular O-H…N hydrogen bonds between the fenamic acids and acridine.
  • Additional stabilizing interactions include π…π stacking, C-H…X hydrogen bonds (X=O, Cl), C-H…π interactions, and dispersive forces, as confirmed by QTAIM and NCI.

Conclusions:

  • The formation of fenamic acid-acridine complexes is driven by specific intermolecular interactions, particularly hydrogen bonding.
  • Understanding these interactions provides insights into improving the pharmaceutical properties of fenamic acid derivatives.
  • Computational methods like QTAIM and NCI are valuable tools for analyzing crystal structures and noncovalent interactions.