2-(3-Nitro-phen-oxy)quinoxaline.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Quinoxaline derivatives are important scaffolds in medicinal chemistry and materials science.

Purpose of the Study:

• To elucidate the detailed molecular and crystal structure of the title compound, C(14)H(9)N(3)O(3).
• To investigate the intermolecular interactions governing crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular geometry and crystal structure.
• Analysis of bond angles, torsion angles, and intermolecular interactions (hydrogen bonds, C-H⋯π interactions) was performed.

Main Results:

• The dihedral angle between the quinoxaline and benzene rings was determined to be 77.13(9)°.
• A significant twist around the ether-benzene O-C bond was observed, with a C-O-C-C torsion angle of -102.8(2)°.
• The crystal structure is characterized by layered arrangements in the ab plane, facilitated by C-H⋯O hydrogen bonds and further stabilized by C-H⋯π interactions along the c-axis.

Conclusions:

• The study provides precise structural data for C(14)H(9)N(3)O(3), highlighting significant non-planarity within the molecule.
• The identified intermolecular interactions offer insights into the self-assembly behavior and potential solid-state properties of this compound.