N-(Quinoxalin-2-yl)-4-toluidine.

Area of Science:

• Chemical Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• Nitrogen-containing heterocyclic compounds, such as quinoxaline derivatives, are important scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C15H13N3.
• To analyze the molecular geometry, including bond angles around the nitrogen atom.
• To investigate intermolecular interactions, specifically hydrogen bonding, and their role in crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• Analysis of bond lengths, bond angles, and torsion angles.
• Identification and analysis of intermolecular interactions, including hydrogen bonds.

Main Results:

• The crystal structure of C15H13N3 was determined, revealing two independent molecules in the asymmetric unit.
• The aromatic and fused-ring systems influenced the planarity and bond angles around the nitrogen atom, measured at approximately 130°.
• A significant intermolecular hydrogen bond was observed between an amino nitrogen atom and a quinoxalinyl nitrogen atom, leading to the formation of a supramolecular chain.

Conclusions:

• The crystal structure provides detailed geometric information about the title compound.
• The observed hydrogen bonding highlights the potential for self-assembly and the formation of extended structures.
• This structural data can inform future studies on the synthesis and application of related nitrogen-containing heterocycles.