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N-(4-Methoxy-phen-yl)pivalamide.

Aamer Saeed, Shahid Hussain, Mahira Batool

    Acta Crystallographica. Section E, Structure Reports Online
    |May 18, 2011
    PubMed
    Summary
    This summary is machine-generated.

    This study details the molecular structure of C(12)H(17)NO(2), highlighting the amide plane orientation and intramolecular hydrogen bonding. Intermolecular hydrogen bonds further organize these molecules into crystal chains.

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    Area of Science:

    • Crystallography
    • Organic Chemistry
    • Molecular Structure Analysis

    Background:

    • Understanding molecular conformation and intermolecular interactions is crucial in organic chemistry.
    • Crystal packing influences material properties and reactivity.

    Purpose of the Study:

    • To elucidate the detailed three-dimensional structure of the molecule C(12)H(17)NO(2).
    • To investigate the conformational preferences and hydrogen bonding patterns 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, torsion angles, and intermolecular contacts.

    Main Results:

    • The amide plane is oriented at 33.9° relative to the aromatic ring.
    • An intramolecular C-H⋯O hydrogen bond was identified.
    • The methoxy group is nearly coplanar with the benzene ring (torsion angle 2.7°).
    • Intermolecular N-H⋯O hydrogen bonds form chains along the [010] direction.

    Conclusions:

    • The study provides precise structural data for C(12)H(17)NO(2).
    • The observed conformation and hydrogen bonding network dictate the crystal packing and potential intermolecular interactions.