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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...

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Autores principales: Bugenhagen, Bernhard, Al Jasem, Yosef, AlAzani, Mariam, Thiemann, Thies
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
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)°.
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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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