1-Allyl-3-phenyl-quinoxalin-2(1H)-one

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the solid-state behavior of organic molecules is essential for materials science.
• Quinoxaline derivatives are known for their diverse applications, necessitating detailed structural studies.
• The specific compound C(17)H(14)N(2)O was synthesized and selected for crystallographic analysis.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(17)H(14)N(2)O.
• To investigate the molecular conformation and intermolecular interactions within the crystal lattice.
• To provide foundational data for potential applications of this quinoxaline derivative.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• The crystallographic data were analyzed to identify molecular geometry and packing arrangements.
• Intermolecular interactions, including π-stacking and hydrogen bonding, were characterized.

Main Results:

• The title compound, C(17)H(14)N(2)O, crystallizes with two molecules in the asymmetric unit.
• Dihedral angles between the quinoxaline and phenyl rings were measured as 38.27° and 37.14° for the two molecules.
• π-stacking interactions along the b axis with an average distance of 3.397 Å and weak C-H⋯O interactions were observed, contributing to crystal cohesion.

Conclusions:

• The crystal structure of C(17)H(14)N(2)O has been successfully determined.
• The observed dihedral angles and intermolecular interactions provide insights into the molecule's solid-state packing.
• These findings contribute to the understanding of structure-property relationships in quinoxaline-based organic materials.