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Color Spot Test As a Presumptive Tool for the Rapid Detection of Synthetic Cathinones
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Published on: February 5, 2018

2-Methylxanthen-9-one.

N Vinutha, Sumati Anthal, V Lakshmi Ranganatha

    Acta Crystallographica. Section E, Structure Reports Online
    |March 14, 2012
    PubMed
    Summary

    The non-planar tricycle structure of C(14)H(10)O(2) was analyzed. Neighboring molecules form stacks through pi-pi interactions in the crystal structure.

    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Materials Science

    Background:

    • Understanding molecular structure and intermolecular forces is crucial in chemistry.
    • Crystal packing influences material properties.

    Purpose of the Study:

    • To elucidate the crystal structure of the title compound C(14)H(10)O(2).
    • To investigate the non-planar geometry and intermolecular interactions within the crystal lattice.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
    • Analysis of bond lengths, bond angles, and dihedral angles provided geometric insights.
    • Intermolecular interactions, specifically pi-pi stacking, were identified and quantified.

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    Main Results:

    • The title compound C(14)H(10)O(2) exhibits a non-planar tricycle structure.
    • A dihedral angle of 4.7(1)° was measured between the two benzene rings, indicating a bent conformation.
    • Pi-pi interactions between the aromatic rings of adjacent molecules lead to the formation of stacks along the [101] direction.
    • Centroid-centroid distances for these pi-pi interactions were determined to be 3.580(3) Å and 3.605(3) Å.

    Conclusions:

    • The bent, non-planar geometry of the C(14)H(10)O(2) molecule is a key structural feature.
    • The observed pi-pi stacking interactions play a significant role in the crystal packing and stability.
    • This structural information provides a foundation for understanding the compound's physical and chemical properties.