(4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one

In the title compound, alternatively called α-hy­droxy-γ-alkyl­idenebutenolide, C(12)H(16)O(3), two independent mol­ecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-di­hydro­benzo ring has an envelope conformation. The torsion angle along the butadiene chain in the γ-alky...

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Autores principales: Heinemann, Frank W., Herrera, Alberto, Agrifoglio, Giuseppe, Dorta, Romano, Pastrán, Jesús
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120547/
https://www.ncbi.nlm.nih.gov/pubmed/25161599
http://dx.doi.org/10.1107/S1600536814014524
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author Heinemann, Frank W.
Herrera, Alberto
Agrifoglio, Giuseppe
Dorta, Romano
Pastrán, Jesús
author_facet Heinemann, Frank W.
Herrera, Alberto
Agrifoglio, Giuseppe
Dorta, Romano
Pastrán, Jesús
author_sort Heinemann, Frank W.
collection PubMed
description In the title compound, alternatively called α-hy­droxy-γ-alkyl­idenebutenolide, C(12)H(16)O(3), two independent mol­ecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-di­hydro­benzo ring has an envelope conformation. The torsion angle along the butadiene chain in the γ-alkyl­idenebutenolide core is −177.9 (2)° for mol­ecule A and 179.9 (2)° for mol­ecule B. In the crystal, O—H⋯O hydrogen bonds between hy­droxyl and carbonyl groups of adjacent independent mol­ecules form dimers with R (2) (2)(10) loops.
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spelling pubmed-41205472014-08-26 (4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one Heinemann, Frank W. Herrera, Alberto Agrifoglio, Giuseppe Dorta, Romano Pastrán, Jesús Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, alternatively called α-hy­droxy-γ-alkyl­idenebutenolide, C(12)H(16)O(3), two independent mol­ecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-di­hydro­benzo ring has an envelope conformation. The torsion angle along the butadiene chain in the γ-alkyl­idenebutenolide core is −177.9 (2)° for mol­ecule A and 179.9 (2)° for mol­ecule B. In the crystal, O—H⋯O hydrogen bonds between hy­droxyl and carbonyl groups of adjacent independent mol­ecules form dimers with R (2) (2)(10) loops. International Union of Crystallography 2014-06-25 /pmc/articles/PMC4120547/ /pubmed/25161599 http://dx.doi.org/10.1107/S1600536814014524 Text en © Heinemann et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Heinemann, Frank W.
Herrera, Alberto
Agrifoglio, Giuseppe
Dorta, Romano
Pastrán, Jesús
(4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one
title (4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one
title_full (4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one
title_fullStr (4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one
title_full_unstemmed (4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one
title_short (4R)-3-Hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4H)-one
title_sort (4r)-3-hy­droxy-7-isopropyl-4-methyl-5,6-di­hydro­benzo­furan-2(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120547/
https://www.ncbi.nlm.nih.gov/pubmed/25161599
http://dx.doi.org/10.1107/S1600536814014524
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