Cargando…
Redetermination of 2,6-dimethoxybenzoic acid
The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897–1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent molec...
Autor principal: | |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968263/ https://www.ncbi.nlm.nih.gov/pubmed/21581932 http://dx.doi.org/10.1107/S1600536809001408 |
_version_ | 1782189822614437888 |
---|---|
author | Portalone, Gustavo |
author_facet | Portalone, Gustavo |
author_sort | Portalone, Gustavo |
collection | PubMed |
description | The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897–1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent molecule, as the methoxy substituents force the carboxy group to be twisted away from the plane of the aromatic ring by 56.12 (9)°. Due to the antiplanar conformation adopted by the OH group, the molecular components do not form the conventional dimeric units, but are associated in the crystal in chains stabilized by linear O—H⋯O hydrogen bonds, involving the OH groups and the carbonyl O atoms, which form C(3) motifs. |
format | Text |
id | pubmed-2968263 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29682632010-12-30 Redetermination of 2,6-dimethoxybenzoic acid Portalone, Gustavo Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897–1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent molecule, as the methoxy substituents force the carboxy group to be twisted away from the plane of the aromatic ring by 56.12 (9)°. Due to the antiplanar conformation adopted by the OH group, the molecular components do not form the conventional dimeric units, but are associated in the crystal in chains stabilized by linear O—H⋯O hydrogen bonds, involving the OH groups and the carbonyl O atoms, which form C(3) motifs. International Union of Crystallography 2009-01-17 /pmc/articles/PMC2968263/ /pubmed/21581932 http://dx.doi.org/10.1107/S1600536809001408 Text en © Gustavo Portalone* 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 Portalone, Gustavo Redetermination of 2,6-dimethoxybenzoic acid |
title | Redetermination of 2,6-dimethoxybenzoic acid |
title_full | Redetermination of 2,6-dimethoxybenzoic acid |
title_fullStr | Redetermination of 2,6-dimethoxybenzoic acid |
title_full_unstemmed | Redetermination of 2,6-dimethoxybenzoic acid |
title_short | Redetermination of 2,6-dimethoxybenzoic acid |
title_sort | redetermination of 2,6-dimethoxybenzoic acid |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968263/ https://www.ncbi.nlm.nih.gov/pubmed/21581932 http://dx.doi.org/10.1107/S1600536809001408 |
work_keys_str_mv | AT portalonegustavo redeterminationof26dimethoxybenzoicacid |