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Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol
In the title compounds, C(10)H(8)O(2), (I), and C(13)H(14)O(3), (II), the 2-acetyl-4-ethynylphenol unit displays a planar geometry, which is stabilized by an intramolecular O—H⋯O hydrogen bond. The crystal structure of (I) is constructed of infinite strands, along [101], of C—H⋯O=C hydrogen-bonded...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050755/ https://www.ncbi.nlm.nih.gov/pubmed/27746920 http://dx.doi.org/10.1107/S2056989016013451 |
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author | Hübscher, Jörg Rosin, Robert Seichter, Wilhelm Weber, Edwin |
author_facet | Hübscher, Jörg Rosin, Robert Seichter, Wilhelm Weber, Edwin |
author_sort | Hübscher, Jörg |
collection | PubMed |
description | In the title compounds, C(10)H(8)O(2), (I), and C(13)H(14)O(3), (II), the 2-acetyl-4-ethynylphenol unit displays a planar geometry, which is stabilized by an intramolecular O—H⋯O hydrogen bond. The crystal structure of (I) is constructed of infinite strands, along [101], of C—H⋯O=C hydrogen-bonded molecules, which in turn are linked by C—H⋯π interactions. In the crystal of (II), which crystallized with three independent molecules per asymmetric unit, the non-polar parts of the molecules form hydrophobic layered domains, parallel to (10-1), which are separated by the polar groups. While the 2-acetylphenol part of the molecules are involved in O—H⋯O=C hydrogen bonding, the ternary OH groups creates a cyclic pattern of O—H⋯O hydrogen bonds. |
format | Online Article Text |
id | pubmed-5050755 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507552016-10-14 Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol Hübscher, Jörg Rosin, Robert Seichter, Wilhelm Weber, Edwin Acta Crystallogr E Crystallogr Commun Research Communications In the title compounds, C(10)H(8)O(2), (I), and C(13)H(14)O(3), (II), the 2-acetyl-4-ethynylphenol unit displays a planar geometry, which is stabilized by an intramolecular O—H⋯O hydrogen bond. The crystal structure of (I) is constructed of infinite strands, along [101], of C—H⋯O=C hydrogen-bonded molecules, which in turn are linked by C—H⋯π interactions. In the crystal of (II), which crystallized with three independent molecules per asymmetric unit, the non-polar parts of the molecules form hydrophobic layered domains, parallel to (10-1), which are separated by the polar groups. While the 2-acetylphenol part of the molecules are involved in O—H⋯O=C hydrogen bonding, the ternary OH groups creates a cyclic pattern of O—H⋯O hydrogen bonds. International Union of Crystallography 2016-09-05 /pmc/articles/PMC5050755/ /pubmed/27746920 http://dx.doi.org/10.1107/S2056989016013451 Text en © Hübscher et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Hübscher, Jörg Rosin, Robert Seichter, Wilhelm Weber, Edwin Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
title | Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
title_full | Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
title_fullStr | Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
title_full_unstemmed | Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
title_short | Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
title_sort | crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050755/ https://www.ncbi.nlm.nih.gov/pubmed/27746920 http://dx.doi.org/10.1107/S2056989016013451 |
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