5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate

In the title compound, C(17)H(14)O(3)·H(2)O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3 (2)° with the phenyl ring. In the crystal, the components are linked by O—H⋯O hydrogen bonds involving the water mol­ecule, and the hy­droxy and carbonyl groups...

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Detalles Bibliográficos
Autores principales: Torre-Fernández, Laura, Suero, Marcos G., García-Granda, Santiago
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009225/
https://www.ncbi.nlm.nih.gov/pubmed/21589020
http://dx.doi.org/10.1107/S1600536810028400
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author Torre-Fernández, Laura
Suero, Marcos G.
García-Granda, Santiago
author_facet Torre-Fernández, Laura
Suero, Marcos G.
García-Granda, Santiago
author_sort Torre-Fernández, Laura
collection PubMed
description In the title compound, C(17)H(14)O(3)·H(2)O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3 (2)° with the phenyl ring. In the crystal, the components are linked by O—H⋯O hydrogen bonds involving the water mol­ecule, and the hy­droxy and carbonyl groups of the organic compound. These inter­actions form a square-like supra­molecular synthon unit which propagates as chains parallel to the crystallographic b axis. A C—H⋯O interaction also occurs.
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spelling pubmed-30092252010-12-30 5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate Torre-Fernández, Laura Suero, Marcos G. García-Granda, Santiago Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(14)O(3)·H(2)O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3 (2)° with the phenyl ring. In the crystal, the components are linked by O—H⋯O hydrogen bonds involving the water mol­ecule, and the hy­droxy and carbonyl groups of the organic compound. These inter­actions form a square-like supra­molecular synthon unit which propagates as chains parallel to the crystallographic b axis. A C—H⋯O interaction also occurs. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009225/ /pubmed/21589020 http://dx.doi.org/10.1107/S1600536810028400 Text en © Torre-Fernández et al. 2010 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
Torre-Fernández, Laura
Suero, Marcos G.
García-Granda, Santiago
5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate
title 5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate
title_full 5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate
title_fullStr 5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate
title_full_unstemmed 5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate
title_short 5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate
title_sort 5-hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4h)-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009225/
https://www.ncbi.nlm.nih.gov/pubmed/21589020
http://dx.doi.org/10.1107/S1600536810028400
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