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Methyl pyrido[2,3-b]pyrazine-3-carboxyl-ate.

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    This study details the crystal structure of C(9)H(7)N(3)O(2), revealing two independent molecules. The structure is stabilized by hydrogen bonds and features significant pyrazine-pyrazine and pyridine-pyrazine π-π interactions.

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    Area of Science:

    • Crystallography
    • Supramolecular Chemistry
    • Organic Chemistry

    Background:

    • Understanding molecular interactions is crucial for materials science.
    • Crystal structure analysis provides fundamental insights into intermolecular forces.
    • The title compound, C(9)H(7)N(3)O(2), is a molecule of interest for its potential applications.

    Purpose of the Study:

    • To elucidate the crystal structure of the title compound, C(9)H(7)N(3)O(2).
    • To identify and characterize the intermolecular interactions stabilizing the crystal lattice.
    • To investigate the presence and nature of π-π stacking interactions within the crystal.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the crystal structure.
    • Analysis of the crystal structure involved identifying hydrogen bonds (C-H⋯O and C-H⋯N).
    • π-π interaction distances between aromatic rings (pyrazine-pyrazine and pyridine-pyrazine) were calculated.

    Main Results:

    • The asymmetric unit contains two independent molecules of C(9)H(7)N(3)O(2).
    • The crystal structure is stabilized by a three-dimensional network of C-H⋯O and C-H⋯N hydrogen bonds.
    • Significant pyrazine-pyrazine (3.6994 Å) and pyridine-pyrazine (3.6374 Å) π-π interactions were observed.

    Conclusions:

    • The crystal packing of C(9)H(7)N(3)O(2) is dictated by a combination of hydrogen bonding and π-π stacking.
    • The identified intermolecular interactions provide a basis for understanding the compound's solid-state properties.
    • This structural characterization contributes to the broader understanding of nitrogen-containing heterocyclic compounds.