Theoretical study of the conformational preference of N-((4-aminophenyl) sulphonyl)acetamide (sulphacetamide) and its azanion

@inproceedings{Stamboliyska2008TheoreticalSO,
  title={Theoretical study of the conformational preference of N-((4-aminophenyl) sulphonyl)acetamide (sulphacetamide) and its azanion},
  author={Bistra A. Stamboliyska and Angelina D. Popova and Evelina A. Velcheva},
  year={2008}
}
th birthday The potential energy surfaces of N-[(4-aminophenyl)sulphonyl]acetamide (sulphacetamide) and its azanion have been explored with DFT calculation at the B3LYP/6-31G* level of theory. All conformational isomers have been located. Three torsion angles (C–C–S–N, C–S–N–C, and S–N–C=O) are used in describing the conformations of the species examined. The preferred structures obtained by the scan for molecule (∠C–C–S–N, 90°; ∠C–S–N–C, 60° and ∠S–N–C=O, 0°) and azanion (∠C–C–S–N, –90°; ∠C–S… CONTINUE READING

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