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Melitracenium chloride.

Hoong-Kun Fun, Madhukar Hemamalini, M S Siddegowda

    Acta Crystallographica. Section E, Structure Reports Online
    |August 13, 2011
    PubMed
    Summary
    This summary is machine-generated.

    This study details the crystal structure of 3-(10,10-dimethyl-anthracen-9-yl-idene)-N,N,N-trimethyl-propanaminium chloride. The compound exhibits specific molecular conformations and forms layered supramolecular structures via hydrogen bonding.

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    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Supramolecular Chemistry

    Background:

    • Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
    • Anthracene derivatives are known for their diverse applications in materials science and organic electronics.

    Purpose of the Study:

    • To elucidate the crystal structure and intermolecular interactions of the title compound, 3-(10,10-dimethyl-anthracen-9-yl-idene)-N,N,N-trimethyl-propanaminium chloride.
    • To characterize the conformational preferences and hydrogen bonding networks within the crystal lattice.

    Main Methods:

    • Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
    • Analysis of bond lengths, bond angles, dihedral angles, and intermolecular interactions (hydrogen bonds) was performed.

    Main Results:

    • The cyclohexane ring within the molecule adopts a chair conformation.
    • A dihedral angle of 40.43(12)° was observed between the terminal benzene rings.
    • The crystal structure is characterized by intermolecular N-H⋯Cl and C-H⋯Cl hydrogen bonds, leading to the formation of supramolecular layers parallel to the bc plane.

    Conclusions:

    • The study provides a detailed structural characterization of a novel anthracene derivative.
    • The identified hydrogen bonding patterns highlight the self-assembly behavior and potential for ordered structures in the solid state.
    • This structural information can guide the design of new materials with tailored properties based on anthracene scaffolds.