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Related Concept Videos

Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals01:17

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(E)-1-(4-Bromo-phen-yl)ethan-1-one semicarbazone.

Hoong-Kun Fun, Jia Hao Goh, Mahesh Padaki

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

    This study details the crystal structure of a bromo-hydrazone compound, C(9)H(10)BrN(3)O. Key findings include specific molecular planarity, dihedral angles, and intermolecular hydrogen bonding forming zigzag chains, alongside non-classical interactions.

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    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Molecular Structure

    Background:

    • Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
    • Bromo-hydrazone compounds represent a class of molecules with potential applications in various chemical fields.

    Purpose of the Study:

    • To elucidate the detailed crystal structure of the title compound, C(9)H(10)BrN(3)O.
    • To identify and characterize intermolecular interactions governing the solid-state packing.

    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 insights into molecular geometry.
    • Identification of hydrogen bonds and other non-classical interactions was performed.

    Main Results:

    • The hydrazone moiety and aliphatic chain were found to be nearly coplanar, with a significant dihedral angle relative to the benzene ring.
    • A prominent feature is the formation of zigzag chains via intermolecular N-H⋯O hydrogen bonds along the a axis.
    • Non-classical intermolecular C-H⋯O interactions were also observed, contributing to the crystal packing.
    • The crystal was identified as a nonmerohedral twin with a specific twin ratio.

    Conclusions:

    • The crystal structure of C(9)H(10)BrN(3)O is characterized by specific planarity and a dihedral angle between the aromatic and aliphatic portions.
    • Intermolecular hydrogen bonding and C-H⋯O interactions dictate the formation of extended chain structures in the solid state.
    • The presence of a nonmerohedral twin highlights the complexity of crystal growth and twinning phenomena.