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Updated: Jun 5, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
2-(Benzyl-sulfan-yl)pyridine N-oxide
The crystal structure of C(12)H(11)NOS features a significant dihedral angle between its oxopyridinium and phenyl rings. This structure is stabilized by hydrogen bonds and various π-π stacking interactions.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular interactions is key in crystal engineering.
- The study of heterocyclic compounds provides insights into material properties.
Purpose of the Study:
- To elucidate the crystal structure of the title compound C(12)H(11)NOS.
- To identify the intermolecular forces stabilizing the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of hydrogen bonding and π-π stacking interactions.
Main Results:
- The dihedral angle between the oxopyridinium and phenyl rings was determined to be 58.40(1)°.
- Crystal structure stabilization is achieved through C-H⋯O hydrogen bonds.
- π-π stacking interactions between pyridinium rings (centroid-centroid distance = 3.6891(9) Å) and C-H⋯π interactions were observed.
Conclusions:
- The C(12)H(11)NOS crystal structure is characterized by specific ring orientations and intermolecular forces.
- Hydrogen bonding and π-stacking interactions play crucial roles in the compound's solid-state arrangement.
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