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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969403 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT floresahuactzinvictorhugo allyl4hydroxyphenylcarbonate AT lopezdelia allyl4hydroxyphenylcarbonate AT bernessylvain allyl4hydroxyphenylcarbonate |