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(4R)-3-Hy-droxy-7-isopropyl-4-methyl-5,6-di-hydro-benzo-furan-2(4H)-one.

ABSTRACT: In the title compound, alternatively called ?-hy-droxy-?-alkyl-idenebutenolide, C12H16O3, two independent mol-ecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-di-hydro-benzo ring has an envelope conformation. The torsion angle along the butadiene chain in the ?-alkyl-idenebutenolide core is -177.9?(2)° for mol-ecule A and 179.9?(2)° for mol-ecule B. In the crystal, O-H?O hydrogen bonds between hy-droxyl and carbonyl groups of adjacent independent mol-ecules form dimers with R (2) 2(10) loops.

SUBMITTER: Heinemann FW

PROVIDER: S-EPMC4120547 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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(4R)-3-Hy-droxy-7-isopropyl-4-methyl-5,6-di-hydro-benzo-furan-2(4H)-one.

Heinemann Frank W FW Herrera Alberto A Agrifoglio Giuseppe G Dorta Romano R Pastrán Jesús J

Acta crystallographica. Section E, Structure reports online 20140625 Pt 7

In the title compound, alternatively called α-hy-droxy-γ-alkyl-idenebutenolide, C12H16O3, two independent mol-ecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-di-hydro-benzo ring has an envelope conformation. The torsion angle along the butadiene chain in the γ-alkyl-idenebutenolide core is -177.9 (2)° for mol-ecule A and 179.9 (2)° for mol-ecule B. In the crystal, O-H⋯O hydrogen bonds between hy-droxyl and carbonyl groups of adjacent independent mol-ecules form dimer ...[more]

PMID: 25161599

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