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Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid
In the crystal of the title compound, C(11)H(14)O(4), the aromatic ring is almost coplanar with the 2-position methoxy group with which it subtends a dihedral of 0.54 (2)°, while the 5-position methoxy group makes a corresponding dihedral angle of just 5.30 (2)°. The angle between the mean planes...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420092/ https://www.ncbi.nlm.nih.gov/pubmed/25995936 http://dx.doi.org/10.1107/S2056989015007641 |
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author | Bugenhagen, Bernhard Al Jasem, Yosef AlAzani, Mariam Thiemann, Thies |
author_facet | Bugenhagen, Bernhard Al Jasem, Yosef AlAzani, Mariam Thiemann, Thies |
author_sort | Bugenhagen, Bernhard |
collection | PubMed |
description | In the crystal of the title compound, C(11)H(14)O(4), the aromatic ring is almost coplanar with the 2-position methoxy group with which it subtends a dihedral of 0.54 (2)°, while the 5-position methoxy group makes a corresponding dihedral angle of just 5.30 (2)°. The angle between the mean planes of the aromatic ring and the propionic acid group is 78.56 (2)°. The fully extended propionic side chain is in a trans configuration with a C—C—C—C torsion angle of −172.25 (7)°. In the crystal, hydrogen bonding is limited to dimer formation via R (2) (2)(8) rings. The hydrogen-bonded dimers are stacked along the b axis. The average planes of the two benzene rings in a dimer are parallel to each other, but at an offset of 4.31 (2) Å. Within neighbouring dimers along the [101] direction, the average molecular benzene planes are almost perpendicular to each other, with a dihedral angle of 85.33 (2)°. |
format | Online Article Text |
id | pubmed-4420092 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44200922015-05-20 Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid Bugenhagen, Bernhard Al Jasem, Yosef AlAzani, Mariam Thiemann, Thies Acta Crystallogr E Crystallogr Commun Data Reports In the crystal of the title compound, C(11)H(14)O(4), the aromatic ring is almost coplanar with the 2-position methoxy group with which it subtends a dihedral of 0.54 (2)°, while the 5-position methoxy group makes a corresponding dihedral angle of just 5.30 (2)°. The angle between the mean planes of the aromatic ring and the propionic acid group is 78.56 (2)°. The fully extended propionic side chain is in a trans configuration with a C—C—C—C torsion angle of −172.25 (7)°. In the crystal, hydrogen bonding is limited to dimer formation via R (2) (2)(8) rings. The hydrogen-bonded dimers are stacked along the b axis. The average planes of the two benzene rings in a dimer are parallel to each other, but at an offset of 4.31 (2) Å. Within neighbouring dimers along the [101] direction, the average molecular benzene planes are almost perpendicular to each other, with a dihedral angle of 85.33 (2)°. International Union of Crystallography 2015-04-25 /pmc/articles/PMC4420092/ /pubmed/25995936 http://dx.doi.org/10.1107/S2056989015007641 Text en © Bugenhagen et al. 2015 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 | Data Reports Bugenhagen, Bernhard Al Jasem, Yosef AlAzani, Mariam Thiemann, Thies Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
title | Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
title_full | Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
title_fullStr | Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
title_full_unstemmed | Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
title_short | Crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
title_sort | crystal structure of 3-(2,5-dimethoxyphenyl)propionic acid |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420092/ https://www.ncbi.nlm.nih.gov/pubmed/25995936 http://dx.doi.org/10.1107/S2056989015007641 |
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