An extensive conformational search for the heterocyclic compound 3‐phenyl‐1,2,3‐oxathiazolidine 2‐oxide has been carried out using the semiempirical quantum‐mechanical method PM3. All torsion angles were varied in the geometry optimization procedure which led to the prediction of four distinct conformers. Barriers to internal rotation leading to conformational interconversions were also calculated. The results of the present study indicate that this five‐member ring substituted heterocyclic system may be expected to exist as a mixture of stable conformers rather than a unique molecular entity.
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