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Triflumizole.

Tae Ho Kim, Ki-Min Park, Yong Woon Shin

    Acta Crystallographica. Section E, Structure Reports Online
    |May 19, 2011
    PubMed
    Summary
    This summary is machine-generated.

    The crystal structure of 4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethyl-idene]-2-(trifluoro-meth-yl)aniline was determined. Weak intermolecular interactions stabilize its crystal packing.

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    Published on: March 14, 2014

    Area of Science:

    • Organic Chemistry
    • Crystallography
    • Medicinal Chemistry

    Background:

    • The systematic name of the title compound is 4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethyl-idene]-2-(trifluoro-meth-yl)aniline.
    • Its molecular formula is C(15)H(15)ClF(3)N(3)O.

    Purpose of the Study:

    • To elucidate the crystal structure of the title compound.
    • To analyze the intermolecular interactions governing crystal packing.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
    • Analysis of weak intermolecular interactions, including C-H⋯X hydrogen bonds and C-H⋯π interactions.

    Main Results:

    • The dihedral angle between the aniline and imidazole ring planes was found to be 81.80(4)°.
    • Weak intermolecular C-H⋯X (X = N, O or F) hydrogen bonds were identified.
    • C-H⋯π interactions were observed, contributing to crystal stabilization.

    Conclusions:

    • The crystal structure provides insights into the spatial arrangement of the molecule.
    • The identified weak interactions are crucial for the consolidation of the crystal lattice.
    • This structural information can be valuable for further research in medicinal chemistry and materials science.