0000000000066816

AUTHOR

Enrique Pandolfi

showing 2 related works from this author

Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)

2017

The absolute configuration of the title compound, determined as 4S,5R,6S on the basis of the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The mol­ecule is formed by a substituted six-membered cyclo­hexene ring adopting an envelope conformation and substituted by carbonyl, methyl and hydroxyl groups. The supra­molecular structure is mainly built by a combination of O—H⋯O and weaker C—H⋯O hydrogen bonds.

crystal structurenatural productStereochemistryCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationschemistry.chemical_compoundChain (algebraic topology)Screw axisPerpendicularGeneral Materials ScienceEnvelope (waves)CrystallographyChemistryHydrogen bondAbsolute configurationGeneral ChemistryMitsunobu inversion reactionCondensed Matter Physics0104 chemical sciencesabsolute configurationCrystallographyQD901-999EnoneActa Crystallographica Section E Crystallographic Communications
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Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetramethyl-3a,6,7,7a,3′a,6′,7′,7′a-octahydro-4,4′-bi[1,3-benzodioxolyl…

2017

The absolute configuration,i.e.(3aR,3′aR,7aS,7′aS), of the title compound, C18H26O4, synthesizedviaa palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled molecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supramolecular assembly is controlled mainly by C—H...O interactions that lead to the formation of hydrogen-bonded chains of molecules along the [001] direction, while weak dipolar interactions and van der Waals forces hold the chains together in the crystal structure.

crystal structureStereochemistryCrystal structure010402 general chemistry01 natural sciencesCatalysislcsh:Chemistrysymbols.namesakepalladium-catalyzedGeneral Materials Sciencebiology13-benzodioxolyl010405 organic chemistryChemistryAbsolute configurationGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesabsolute configurationCrystallographylcsh:QD1-999homocoupling reactionsymbolsTetravan der Waals forceActa Crystallographica Section E Crystallographic Communications
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