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Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde
The crystal structures of the title compounds, methyl 3,5-dimethylbenzoate (C(10)H(12)O(2); 1), 3,5-bis(bromomethyl)phenyl acetate (C(10)H(10)Br(2)O(2); 2) and 5-hydroxybenzene-1,3-dicarbaldehyde (C(8)H(6)O(3); 3) were determined by single-crystal X-ray analysis. The crystals of 1 are compose...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9260362/ https://www.ncbi.nlm.nih.gov/pubmed/35855362 http://dx.doi.org/10.1107/S2056989022005643 |
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author | Ebersbach, Ben Seichter, Wilhelm Mazik, Monika |
author_facet | Ebersbach, Ben Seichter, Wilhelm Mazik, Monika |
author_sort | Ebersbach, Ben |
collection | PubMed |
description | The crystal structures of the title compounds, methyl 3,5-dimethylbenzoate (C(10)H(12)O(2); 1), 3,5-bis(bromomethyl)phenyl acetate (C(10)H(10)Br(2)O(2); 2) and 5-hydroxybenzene-1,3-dicarbaldehyde (C(8)H(6)O(3); 3) were determined by single-crystal X-ray analysis. The crystals of 1 are composed of strands of C—H⋯O=C bonded molecules, which are further arranged into layers. As a result of the presence of two bromomethyl substituents in compound 2, molecular dimers formed by crystallographically non-equivalent molecules are connected to structurally different two-dimensional aggregates in which the bromine atoms participate in Br⋯Br bonds of type I and type II. In the case of compound 3, which possesses three donor/acceptor substituents, the molecular association in the crystal creates a close three-dimensional network comprising C(aryl)—H⋯O(hydroxy), C(formyl)—H⋯O(formyl) and O—H⋯O(formyl) bonds. |
format | Online Article Text |
id | pubmed-9260362 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-92603622022-07-18 Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde Ebersbach, Ben Seichter, Wilhelm Mazik, Monika Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of the title compounds, methyl 3,5-dimethylbenzoate (C(10)H(12)O(2); 1), 3,5-bis(bromomethyl)phenyl acetate (C(10)H(10)Br(2)O(2); 2) and 5-hydroxybenzene-1,3-dicarbaldehyde (C(8)H(6)O(3); 3) were determined by single-crystal X-ray analysis. The crystals of 1 are composed of strands of C—H⋯O=C bonded molecules, which are further arranged into layers. As a result of the presence of two bromomethyl substituents in compound 2, molecular dimers formed by crystallographically non-equivalent molecules are connected to structurally different two-dimensional aggregates in which the bromine atoms participate in Br⋯Br bonds of type I and type II. In the case of compound 3, which possesses three donor/acceptor substituents, the molecular association in the crystal creates a close three-dimensional network comprising C(aryl)—H⋯O(hydroxy), C(formyl)—H⋯O(formyl) and O—H⋯O(formyl) bonds. International Union of Crystallography 2022-06-07 /pmc/articles/PMC9260362/ /pubmed/35855362 http://dx.doi.org/10.1107/S2056989022005643 Text en © Ebersbach et al. 2022 https://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. |
spellingShingle | Research Communications Ebersbach, Ben Seichter, Wilhelm Mazik, Monika Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
title | Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
title_full | Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
title_fullStr | Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
title_full_unstemmed | Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
title_short | Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
title_sort | crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9260362/ https://www.ncbi.nlm.nih.gov/pubmed/35855362 http://dx.doi.org/10.1107/S2056989022005643 |
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