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    Acta Crystallographica. Section E, Structure Reports Online
    |April 28, 2011
    PubMed
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    This summary is machine-generated.

    This study details the crystal structure of a difluoroquinolone derivative. It reveals specific hydrogen bonding and pi-pi stacking interactions that form a unique two-dimensional network in its solid state.

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    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Materials Science

    Background:

    • Quinolone derivatives are important in medicinal chemistry.
    • Understanding crystal packing is crucial for drug development and materials design.

    Purpose of the Study:

    • To elucidate the crystal structure of the title compound, (RS)-4-(3-carb-oxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydro-quinolin-7-yl)-2-methyl-piperazin-1-ium 2,4,6-trinitro-phenolate.
    • To analyze the intermolecular interactions governing its solid-state architecture.

    Main Methods:

    • Single-crystal X-ray diffraction analysis was performed.
    • The crystal structure was solved and refined.
    • Intermolecular interactions, including hydrogen bonding and pi-pi stacking, were investigated.

    Main Results:

    • The piperazine ring in the cation adopts a distorted chair conformation with a protonated nitrogen atom.
    • An intramolecular hydrogen bond was observed within the cation.
    • The crystal structure is dominated by strong N-H⋯O hydrogen bonds and weak π-π stacking interactions, forming a 2D network.

    Conclusions:

    • The detailed crystal structure provides insights into the solid-state behavior of this difluoroquinolone derivative.
    • The identified hydrogen bonding and π-π stacking interactions are key to the observed two-dimensional network structure.