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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...

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Autores principales: Ebersbach, Ben, Seichter, Wilhelm, Mazik, Monika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
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.
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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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