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Allyl 4-hydroxy­phenyl carbonate

The title mol­ecule, C(10)H(10)O(4), is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the ox...

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Detalles Bibliográficos
Autores principales: Flores Ahuactzin, Víctor Hugo, López, Delia, Bernès, Sylvain
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969403/
https://www.ncbi.nlm.nih.gov/pubmed/21582877
http://dx.doi.org/10.1107/S1600536809022387
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author Flores Ahuactzin, Víctor Hugo
López, Delia
Bernès, Sylvain
author_facet Flores Ahuactzin, Víctor Hugo
López, Delia
Bernès, Sylvain
author_sort Flores Ahuactzin, Víctor Hugo
collection PubMed
description The title mol­ecule, C(10)H(10)O(4), is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the oxygen–allyl group, although both disordered parts present the expected anti­clinal conformation, with O—CH(2)—CH=CH(2) torsion angles of −111 (2) and 119.1 (4)°. The crystal structure is based on chains parallel to [010], formed by O⋯H—O hydrogen bonds involving hydroxyl and carbonyl groups as donors and acceptors, respectively. The mol­ecular packing is further stabilized by two weak C—H⋯π contacts from the benzene ring of the asymmetric unit with two benzene rings of neighboring mol­ecules.
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spelling pubmed-29694032010-12-30 Allyl 4-hydroxy­phenyl carbonate Flores Ahuactzin, Víctor Hugo López, Delia Bernès, Sylvain Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(10)H(10)O(4), is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the oxygen–allyl group, although both disordered parts present the expected anti­clinal conformation, with O—CH(2)—CH=CH(2) torsion angles of −111 (2) and 119.1 (4)°. The crystal structure is based on chains parallel to [010], formed by O⋯H—O hydrogen bonds involving hydroxyl and carbonyl groups as donors and acceptors, respectively. The mol­ecular packing is further stabilized by two weak C—H⋯π contacts from the benzene ring of the asymmetric unit with two benzene rings of neighboring mol­ecules. International Union of Crystallography 2009-06-17 /pmc/articles/PMC2969403/ /pubmed/21582877 http://dx.doi.org/10.1107/S1600536809022387 Text en © Flores Ahuactzin. et al. 2009 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
Flores Ahuactzin, Víctor Hugo
López, Delia
Bernès, Sylvain
Allyl 4-hydroxy­phenyl carbonate
title Allyl 4-hydroxy­phenyl carbonate
title_full Allyl 4-hydroxy­phenyl carbonate
title_fullStr Allyl 4-hydroxy­phenyl carbonate
title_full_unstemmed Allyl 4-hydroxy­phenyl carbonate
title_short Allyl 4-hydroxy­phenyl carbonate
title_sort allyl 4-hydroxy­phenyl carbonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969403/
https://www.ncbi.nlm.nih.gov/pubmed/21582877
http://dx.doi.org/10.1107/S1600536809022387
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