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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
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1-(4-Hydr-oxy-3,5-dimethoxy-phen-yl)ethanone.

Jun He, Jin-Cheng Yang

    Acta Crystallographica. Section E, Structure Reports Online
    |May 18, 2011
    PubMed
    Summary

    The crystal structure of C(10)H(12)O(4) reveals a nearly planar molecular conformation. Molecules self-assemble into chains through specific hydrogen bonding interactions in the solid state.

    Area of Science:

    • Crystallography
    • Molecular structure analysis
    • Supramolecular chemistry

    Background:

    • Understanding molecular conformation and intermolecular interactions is crucial in materials science.
    • Hydrogen bonding plays a significant role in the self-assembly of molecules in crystals.
    • The specific arrangement of atoms dictates a molecule's physical and chemical properties.

    Purpose of the Study:

    • To determine the precise three-dimensional structure of the title molecule, C(10)H(12)O(4).
    • To investigate the intermolecular interactions governing the crystal packing.
    • To elucidate the role of hydrogen bonding in the formation of supramolecular architectures.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to collect diffraction data.

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  • The crystal structure was solved and refined using standard crystallographic software.
  • Analysis of bond lengths, bond angles, and non-bonded contacts was performed.

    • Main Results:

    • The non-hydrogen atoms of the C(10)H(12)O(4) molecule exhibit a high degree of planarity, with an r.m.s. deviation of 0.033 Å.
    • In the crystalline state, molecules are organized into chains extending along the [001] direction.
    • These chains are formed via a network of O-H⋯O hydrogen bonds, indicating specific intermolecular interactions.

    Conclusions:

    • The title molecule possesses a nearly planar conformation in the solid state.
    • O-H⋯O hydrogen bonding is the primary driving force for the observed chain formation in the crystal structure.
    • The study provides insights into the supramolecular assembly of C(10)H(12)O(4), relevant for crystal engineering and materials design.