2-(Pyridin-2-yl)-1,3-oxathiane

Area of Science:

• Organic Chemistry
• Crystallography
• Coordination Chemistry

Background:

• The title compound, C(9)H(11)NOS, possesses a distinct structural architecture.
• It features an aliphatic oxathiane ring linked to an aromatic pyridine ring, allowing free rotation around the connecting C-C bond.

Purpose of the Study:

• To elucidate the structure of C(9)H(11)NOS.
• To investigate its potential utility as a bidentate ligand in the synthesis of organometallic complexes.

Main Methods:

• X-ray crystallography was employed for detailed structure elucidation.
• Analysis of molecular conformation and intermolecular interactions in the crystal lattice.

Main Results:

• The oxathiane ring adopts a chair conformation.
• The sulfur (S) atom is positioned in close proximity to the nitrogen (N) atom of the pyridine ring, with an S-C-C-N torsion angle of 69.07°.
• Molecules form centrosymmetric dimers in the crystal, facilitated by C-H⋯N hydrogen bonds.

Conclusions:

• The determined structure confirms the compound's unique motif and conformational preferences.
• The proximity of the S and N atoms suggests potential for bidentate coordination in organometallic chemistry.
• The observed crystal packing provides insights into intermolecular forces governing its solid-state structure.