Crystal structure of 2α-(1,1-di­phenyl­eth­yl)-4-methyl-4α,5α-diphenyl-1,3-dioxolane: the result of a non-acid pinacol rearrangement

Acta Crystallographica Section E: Crystallographic Communications

Regan, J.¹  DiProperzio, A.¹  Capitani, J.F.¹  Kirchner, R.M.¹  Annabi, M.¹  Speina, K.¹  Ciaccio, J.A.²  Corfield, P.W.R.² 

[1] Department of Chemistry and Biochemistry, Manhattan College, 4513 Manhattan College Pkwy, Bronx NY 10471, USA;Department of Chemistry, Fordham University, 441 East Fordham Road, Bronx, NY 10458, USA

关键词: CRYSTAL STRUCTURE;    1,3-DIOXOLANE;    NON-ACID-CATALYZED PINACOL REARRANGEMENT;    ACETAL;    C-H...O HYDROGEN BONDS;    C-H...[PI] INTERACTIONS;    DENSITY FUNCTIONAL ANALYSIS.;   

DOI  :  10.1107/S2056989015017752

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C30H28O2, was obtained during recrystallization of (±)-1,2-diphenyl-1,2-propane­diol in 1-butanol, from an unexpected non-acid-catalyzed pinacol rearrangement followed by acetal formation of the newly formed aldehyde with the diol. The tri-substituted dioxolane ring has a twist conformation on the C—O bond opposite the methyl-substituted C atom. There is an intra­molecular C—H⋯π inter­action present involving one of the di­phenyl­ethyl rings and an H atom of the phenyl ring in position 4 of the dioxolane ring. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming chains along [001]. The chains are linked by a second C—H⋯π inter­action, forming sheets parallel to the bc plane.

【 授权许可】

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