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Opipramol dihydro-chloride.

Richard Betz, Thomas Gerber, Eric Hosten

    Acta Crystallographica. Section E, Structure Reports Online
    |January 6, 2012
    PubMed
    Summary
    This summary is machine-generated.

    This study characterizes a novel piperazine derivative, 4-{3-[2-aza-tricyclo-[9.4.0.0(3,8)]penta-deca-1(15),3,5,7,11,13-hexaen-2-yl]prop-yl}-1-(2-hydroxy-ethyl)piperazine-1,4-diium dichloride. Crystal structure analysis reveals hydrogen bonding and C-H⋯π interactions forming a 3D network.

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    Area of Science:

    • Organic Chemistry
    • Crystallography
    • Supramolecular Chemistry

    Background:

    • Piperazine derivatives are crucial in medicinal chemistry.
    • Dibenz[b,f]azepine scaffolds are found in various bioactive compounds.
    • Understanding molecular interactions is key to drug design.

    Purpose of the Study:

    • To synthesize and characterize a novel piperazine derivative.
    • To elucidate the crystal structure and intermolecular interactions.
    • To provide insights into the solid-state behavior of this compound.

    Main Methods:

    • Single-crystal X-ray diffraction analysis.
    • Chemical synthesis of the target compound.
    • Spectroscopic characterization (implied).

    Main Results:

    • The title compound is the dihydro-chloride salt of a piperazine derivative with a bulky azepane substituent.
    • Protonation occurred on both piperazine nitrogen atoms.
    • The crystal structure exhibits a 3D network stabilized by N-H⋯Cl, O-H⋯Cl, C-H⋯Cl hydrogen bonds, C-H⋯O contacts, and C-H⋯π interactions.

    Conclusions:

    • The crystal structure provides a detailed understanding of the compound's molecular arrangement.
    • The observed hydrogen bonding network influences the compound's solid-state properties.
    • This structural information can be valuable for future drug development and material science applications.