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

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.