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Acridinium 3,5-dicarboxy-benzoate monohydrate.

Zohreh Derikvand, Hossein Aghabozorg, Jafar Attar Gharamaleki

    Acta Crystallographica. Section E, Structure Reports Online
    |May 18, 2011
    PubMed
    Summary

    This study reveals how a specific compound forms a supramolecular structure through various non-covalent interactions. These interactions, including hydrogen bonds and pi-pi stacking, are key to its molecular assembly.

    Area of Science:

    • Crystallography
    • Supramolecular Chemistry

    Background:

    • Understanding non-covalent interactions is crucial for designing novel materials.
    • Crystal engineering relies on predictable intermolecular forces to build desired structures.

    Purpose of the Study:

    • To elucidate the supramolecular assembly of the title compound.
    • To characterize the specific non-covalent interactions governing the crystal structure.

    Main Methods:

    • Single-crystal X-ray diffraction analysis was employed.
    • Analysis of hydrogen bonding and π-π stacking interactions.

    Main Results:

    • The title compound, C(13)H(10)N(+)·C(9)H(5)O(6) (-)·H(2)O, forms a supramolecular network.
    • Observed interactions include O-H⋯O and N-H⋯O hydrogen bonds.

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  • π-π stacking with centroid-centroid distances of 3.562(8) and 3.872(8) Å and ion pairing were identified.

    • Conclusions:

    • The crystal structure is stabilized by a combination of hydrogen bonding, π-π stacking, and ion pairing.
    • These non-covalent interactions dictate the formation of the observed supramolecular architecture.