Cargando…

(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...

Descripción completa

Detalles Bibliográficos
Autores principales: Pillay, Adushan, Khorasani, Sanaz, de Koning, Charles B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
_version_ 1782261530560036864
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
work_keys_str_mv AT pillayadushan zethyl2hydroxy4oxo414568pentamethoxynaphthalen2ylbut2enoate
AT khorasanisanaz zethyl2hydroxy4oxo414568pentamethoxynaphthalen2ylbut2enoate
AT dekoningcharlesb zethyl2hydroxy4oxo414568pentamethoxynaphthalen2ylbut2enoate