2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid

The title compound, 2,6-di­bromo-3,4,5-tri­meth­oxy­benzoic acid (DBrTMBA), C(10)H(10)Br(2)O(5), was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri­meth­oxy­benzoic acid with KBrO(3). Like the previously reported 2,6-di­iodo-3,4,5-tri­meth­oxy­benzoic acid (DITMBA), the structure...

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Detalles Bibliográficos
Autores principales: Meurer, Florian, Dimova, Tanya, Bodensteiner, Michael, Kolev, Iliyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561206/
https://www.ncbi.nlm.nih.gov/pubmed/37817949
http://dx.doi.org/10.1107/S2056989023007831
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author Meurer, Florian
Dimova, Tanya
Bodensteiner, Michael
Kolev, Iliyan
author_facet Meurer, Florian
Dimova, Tanya
Bodensteiner, Michael
Kolev, Iliyan
author_sort Meurer, Florian
collection PubMed
description The title compound, 2,6-di­bromo-3,4,5-tri­meth­oxy­benzoic acid (DBrTMBA), C(10)H(10)Br(2)O(5), was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri­meth­oxy­benzoic acid with KBrO(3). Like the previously reported 2,6-di­iodo-3,4,5-tri­meth­oxy­benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol­ecules along an endless chain of carb­oxy­lic H–carbonyl inter­actions. A short carbon­yl–phenyl contact hints at a possible lone pair(O)–π-hole inter­action further stabilizing the chain-like structure over a dimeric arrangement of the carb­oxy­lic acid.
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spelling pubmed-105612062023-10-10 2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid Meurer, Florian Dimova, Tanya Bodensteiner, Michael Kolev, Iliyan Acta Crystallogr E Crystallogr Commun Research Communications The title compound, 2,6-di­bromo-3,4,5-tri­meth­oxy­benzoic acid (DBrTMBA), C(10)H(10)Br(2)O(5), was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri­meth­oxy­benzoic acid with KBrO(3). Like the previously reported 2,6-di­iodo-3,4,5-tri­meth­oxy­benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol­ecules along an endless chain of carb­oxy­lic H–carbonyl inter­actions. A short carbon­yl–phenyl contact hints at a possible lone pair(O)–π-hole inter­action further stabilizing the chain-like structure over a dimeric arrangement of the carb­oxy­lic acid. International Union of Crystallography 2023-09-14 /pmc/articles/PMC10561206/ /pubmed/37817949 http://dx.doi.org/10.1107/S2056989023007831 Text en © Meurer et al. 2023 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
Meurer, Florian
Dimova, Tanya
Bodensteiner, Michael
Kolev, Iliyan
2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid
title 2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid
title_full 2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid
title_fullStr 2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid
title_full_unstemmed 2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid
title_short 2,6-Di­bromo-3,4,5-tri­meth­oxy­benzoic acid
title_sort 2,6-di­bromo-3,4,5-tri­meth­oxy­benzoic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561206/
https://www.ncbi.nlm.nih.gov/pubmed/37817949
http://dx.doi.org/10.1107/S2056989023007831
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AT dimovatanya 26dibromo345trimethoxybenzoicacid
AT bodensteinermichael 26dibromo345trimethoxybenzoicacid
AT koleviliyan 26dibromo345trimethoxybenzoicacid

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