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RESEARCH PRODUCT
Ethanedithiol diacetate
Holger FleischerDieter Schollmeyersubject
chemistry.chemical_classificationCrystallographychemistryFragment (logic)ThiolSolid-stateMoleculeGeneral Materials ScienceGeneral ChemistryCondensed Matter PhysicsEnergy minimizationPlanarity testingdescription
Ethane-1,2-diyl S,S′-bis(thioacetate), H3CC(O)SCH2CH2SC(O)CH3 or C6H10O2S2, forms centrosymmetric molecules in the solid state and the molecular structure determined by X-ray crystallography is in good agreement with that obtained by density functional geometry optimization. The planarity of the O=C—S—C fragment, which is also found in structures of other thioacetates, is attributed to a strong np(S)–π*(C—O) orbital interaction.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-03-16 | Acta Crystallographica Section E Structure Reports Online |