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(Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate
The title compound, C(21)H(24)O(9), crystallizes with two independent molecules in the asymmetric unit which are almost centrosymmetrically related to each other. The ethanoate group in one of the two molecules is disordered over two positions with a site-occupation factor of 0.880 (7) for the ma...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588284/ https://www.ncbi.nlm.nih.gov/pubmed/23476437 http://dx.doi.org/10.1107/S1600536812049203 |
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author | Pillay, Adushan Khorasani, Sanaz de Koning, Charles B. |
author_facet | Pillay, Adushan Khorasani, Sanaz de Koning, Charles B. |
author_sort | Pillay, Adushan |
collection | PubMed |
description | The title compound, C(21)H(24)O(9), crystallizes with two independent molecules in the asymmetric unit which are almost centrosymmetrically related to each other. The ethanoate group in one of the two molecules is disordered over two positions with a site-occupation factor of 0.880 (7) for the major occupied site. In the crystal, the 1,3-diketone group exists in the keto–enol isomeric form due to the stabilizing effect of the intramolecular O—H⋯O hydrogen bond present in this form. The compound packs as a layered structure in which C—H⋯π and C—H⋯O interactions are present within and between the layers. |
format | Online Article Text |
id | pubmed-3588284 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35882842013-03-08 (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate Pillay, Adushan Khorasani, Sanaz de Koning, Charles B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(24)O(9), crystallizes with two independent molecules in the asymmetric unit which are almost centrosymmetrically related to each other. The ethanoate group in one of the two molecules is disordered over two positions with a site-occupation factor of 0.880 (7) for the major occupied site. In the crystal, the 1,3-diketone group exists in the keto–enol isomeric form due to the stabilizing effect of the intramolecular O—H⋯O hydrogen bond present in this form. The compound packs as a layered structure in which C—H⋯π and C—H⋯O interactions are present within and between the layers. International Union of Crystallography 2012-12-08 /pmc/articles/PMC3588284/ /pubmed/23476437 http://dx.doi.org/10.1107/S1600536812049203 Text en © Pillay et al. 2013 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 Pillay, Adushan Khorasani, Sanaz de Koning, Charles B. (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
title | (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
title_full | (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
title_fullStr | (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
title_full_unstemmed | (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
title_short | (Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
title_sort | (z)-ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588284/ https://www.ncbi.nlm.nih.gov/pubmed/23476437 http://dx.doi.org/10.1107/S1600536812049203 |
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