2-Iodo-3-meth-oxy-6-methyl-pyridine.

Area of Science:

• Organic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Pyridine derivatives are important in various chemical applications.
• Understanding the solid-state structure of novel compounds is crucial for predicting their properties and reactivity.

Purpose of the Study:

• To synthesize and characterize a new pyridine derivative, C(7)H(8)INO.
• To elucidate the crystal structure and intermolecular interactions of the synthesized compound.

Main Methods:

• Chemical synthesis involving 3-methoxy-6-methyl-pyridine, potassium iodide (KI), and iodine (I2) in tetrahydrofuran.
• Single-crystal X-ray diffraction analysis to determine the molecular and crystal structure.
• Analysis of molecular planarity, dihedral angles, and intermolecular contacts (hydrogen bonds, I⋯N interactions).

Main Results:

• The compound C(7)H(8)INO was successfully synthesized.
• The crystal structure contains three independent, similarly oriented molecules in the asymmetric unit.
• Molecules exhibit near-planarity with polar methoxy groups and non-polar methyl groups segregated. Dihedral angles between pyridine rings range from 58.09° to 71.5°.
• Weak intermolecular C-H⋯O hydrogen bonds form dimers, and short I⋯N contacts (4.046 Å) are observed.

Conclusions:

• The study provides a detailed structural characterization of the novel pyridine derivative C(7)H(8)INO.
• The observed crystal packing and intermolecular interactions offer insights into the solid-state behavior of this compound.
• The findings contribute to the understanding of structure-property relationships in substituted pyridine systems.