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Diniconazole.

Zhi-Qiang Xiong, Jin-Zhu Chen, Shi-He Wen

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

    This study details the crystal structure of a novel triazole compound, (E)-1-(2,4-dichloro-phen-yl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol. The compound exhibits specific dihedral angles and forms hydrogen-bonded chains in its crystalline state.

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    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Materials Science

    Background:

    • Triazole derivatives are important in medicinal chemistry and materials science.
    • Understanding the solid-state structure of organic compounds is crucial for predicting their properties and designing new materials.

    Purpose of the Study:

    • To determine the crystal structure of (E)-1-(2,4-dichloro-phen-yl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol.
    • To analyze the intermolecular interactions and packing in the crystal lattice.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to elucidate the molecular and crystal structure.
    • Analysis of dihedral angles between aromatic rings and hydrogen bonding patterns.

    Main Results:

    • The asymmetric unit contains two molecules of the title compound.
    • Dihedral angles between the triazole and benzene rings are 9.4(2)° and 35.0(2)°.
    • Molecules are linked by O-H⋯N hydrogen bonds, forming C(7) chains propagating along the [010] direction.

    Conclusions:

    • The study provides a detailed structural characterization of a novel dichloro-phenyl triazole derivative.
    • The observed hydrogen bonding and molecular arrangement offer insights into the solid-state behavior of this class of compounds.