Table 3.
Dihedral angle values for stable conformers.
| Compound | 0° | 120° | ||
|---|---|---|---|---|
| δC-S-C=O | δC-O-C=O | δC-S-C=O | δC-O-C=O | |
| I | 5.0° | −0.8° | 5.4° | −0.5° |
| II | 4.7° | −0.5° | 5.8° | 0.0° |
| III | 4.9° | −0.5° | 5.8° | 0.3° |
Calculated with B3LYP/6-31++G(d,p) level of approximation.
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