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The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid

In the title compound, C(14)H(18)O(8), (I), the meth­oxy­carbonyl [–C(=O)OCH(3)] and the acetic acid [–CH(2)C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, mol­ecules are...

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Autores principales: Tiouabi, Mustapha, Tabacchi, Raphaël, Stoeckli-Evans, Helen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7336770/
https://www.ncbi.nlm.nih.gov/pubmed/32695460
http://dx.doi.org/10.1107/S2056989020007987
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author Tiouabi, Mustapha
Tabacchi, Raphaël
Stoeckli-Evans, Helen
author_facet Tiouabi, Mustapha
Tabacchi, Raphaël
Stoeckli-Evans, Helen
author_sort Tiouabi, Mustapha
collection PubMed
description In the title compound, C(14)H(18)O(8), (I), the meth­oxy­carbonyl [–C(=O)OCH(3)] and the acetic acid [–CH(2)C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, mol­ecules are linked by a pair of O—H⋯O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C—H⋯O hydrogen bonds and an offset π–π inter­action [inter­centroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10[Image: see text]) plane. The layers are linked by a third C—H⋯O hydrogen bond and a C—H⋯π inter­action to form a supra­molecular framework.
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spelling pubmed-73367702020-07-20 The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid Tiouabi, Mustapha Tabacchi, Raphaël Stoeckli-Evans, Helen Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(14)H(18)O(8), (I), the meth­oxy­carbonyl [–C(=O)OCH(3)] and the acetic acid [–CH(2)C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, mol­ecules are linked by a pair of O—H⋯O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C—H⋯O hydrogen bonds and an offset π–π inter­action [inter­centroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10[Image: see text]) plane. The layers are linked by a third C—H⋯O hydrogen bond and a C—H⋯π inter­action to form a supra­molecular framework. International Union of Crystallography 2020-06-19 /pmc/articles/PMC7336770/ /pubmed/32695460 http://dx.doi.org/10.1107/S2056989020007987 Text en © Tiouabi et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Tiouabi, Mustapha
Tabacchi, Raphaël
Stoeckli-Evans, Helen
The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
title The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
title_full The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
title_fullStr The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
title_full_unstemmed The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
title_short The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
title_sort crystal structure, hirshfeld surface analysis and energy frameworks of 2-[2-(meth­oxy­carbon­yl)-3,6-bis­(meth­oxy­meth­oxy)phen­yl]acetic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7336770/
https://www.ncbi.nlm.nih.gov/pubmed/32695460
http://dx.doi.org/10.1107/S2056989020007987
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