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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7336770 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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