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2-Hydr-oxy-5-nitro-benzamide.

Abdul Rauf Raza, M Nawaz Tahir, Bushra Nisar

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    This study investigates the crystal structure of C(7)H(6)N(2)O(4), revealing an intramolecular hydrogen bond forming an S(6) ring. The crystal packing is further stabilized by intermolecular hydrogen bonds and weak C-H⋯O interactions, forming polymeric sheets.

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    Area of Science:

    • Crystallography
    • Molecular Chemistry
    • Supramolecular Chemistry

    Background:

    • Understanding intermolecular forces is crucial for predicting material properties.
    • Hydrogen bonding plays a significant role in crystal lattice formation.
    • Previous studies on related compounds provide context for the current investigation.

    Purpose of the Study:

    • To elucidate the crystal structure of the title compound C(7)H(6)N(2)O(4).
    • To identify and characterize the types of hydrogen bonds present in the crystal lattice.
    • To analyze the factors contributing to the overall crystal packing and stability.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
    • Analysis of hydrogen bonding networks, including intramolecular and intermolecular interactions.
    • Topological analysis of hydrogen bond motifs (e.g., S(6) rings, inversion dimers).

    Main Results:

    • An intramolecular O-H⋯O hydrogen bond was identified, forming a six-membered (S(6)) ring.
    • Inversion dimers, linked by N-H⋯O hydrogen bonds, were observed in the crystal structure.
    • Weak C-H⋯O interactions were found to contribute to the consolidation of crystal packing, forming polymeric sheets with specific loop formations (R(2)(7) and R(2)(10)).

    Conclusions:

    • The crystal structure of C(7)H(6)N(2)O(4) is characterized by a combination of strong and weak hydrogen bonding interactions.
    • Intramolecular hydrogen bonding dictates local conformation, while intermolecular interactions govern crystal packing.
    • The identified packing motifs, including polymeric sheets, highlight the importance of diverse non-covalent interactions in supramolecular assembly.