2-(4-Meth-oxy-phen-oxy)-3-nitro-pyridine.

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Supramolecular chemistry explores the non-covalent interactions that govern the assembly of molecules into larger structures.

Purpose of the Study:

• To elucidate the crystal structure of the title molecule C(12)H(10)N(2)O(4).
• To analyze the spatial arrangement of aromatic rings and substituents.
• To identify and characterize intermolecular interactions responsible for crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond angles, dihedral angles, and intermolecular contacts (C-H⋯π, N-O⋯π) was performed.

Main Results:

• The pyridine and benzene rings exhibit a near-orthogonal orientation (dihedral angle = 86.69°).
• The nitro (-NO(2)) and methoxy (-OMe) substituents are non-coplanar with their respective aromatic rings.
• Supra-molecular layers are formed in the ab plane via C-H⋯π interactions.
• Inter-layer interactions occur along the c-axis via short N-O⋯π contacts.

Conclusions:

• The crystal structure reveals a unique spatial arrangement of the molecule's components.
• Intermolecular interactions play a significant role in organizing the molecules into layered supramolecular structures.
• The findings contribute to the understanding of crystal engineering and molecular assembly in organic solids.