5-nitro-2,3-bis(2-pyridyl)quinoxaline.

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding molecular interactions is crucial for designing novel materials.
• Crystal structure analysis provides insights into intermolecular forces.
• The title compound, C(18)H(11)N(5)O(2), is a molecule of interest for its potential applications.

Purpose of the Study:

• To determine the crystal structure of C(18)H(11)N(5)O(2).
• To investigate the intermolecular interactions governing the crystal packing.
• To elucidate the conformational preferences of the pyridyl rings.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Crystallographic data was analyzed to identify hydrogen bonding and pi-pi stacking interactions.
• Conformational analysis of the pyridyl ring arrangements was performed.

Main Results:

• Two crystallographically independent molecules of C(18)H(11)N(5)O(2) were identified in the asymmetric unit.
• Both molecules adopt a cis-cis conformation regarding the pyridyl ring orientations.
• A C-H...N hydrogen bond was observed, linking centrosymmetrically related molecules into discrete dimers (C...N = 3.462 Å).
• Pi-pi stacking interactions between aromatic rings of adjacent dimers further stabilize the crystal structure.

Conclusions:

• The crystal structure of C(18)H(11)N(5)O(2) is characterized by the formation of discrete dimeric units.
• Intermolecular hydrogen bonding and pi-pi stacking are key interactions in stabilizing the crystal lattice.
• The observed cis-cis conformation and packing arrangement provide a foundation for understanding the compound's physical and chemical properties.