2,6-Di-bromo-3,4,5-tri-meth-oxy-benzoic acid.

Autor: Meurer F; Faculty of Chemistry and Pharmacy, University of Regensburg, Universitaetsstr. 31, 93053 Regensburg, Germany., Dimova T; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Medical University 'Prof. Dr. Paraskev Stoyanov' Varna, 84 'Tzar Osvoboditel' Blvd., 9000 Varna, Bulgaria., Bodensteiner M; Faculty of Chemistry and Pharmacy, University of Regensburg, Universitaetsstr. 31, 93053 Regensburg, Germany., Kolev I; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Medical University 'Prof. Dr. Paraskev Stoyanov' Varna, 84 'Tzar Osvoboditel' Blvd., 9000 Varna, Bulgaria.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Sep 14; Vol. 79 (Pt 10), pp. 916-919. Date of Electronic Publication: 2023 Sep 14 (Print Publication: 2023).
DOI: 10.1107/S2056989023007831
Abstrakt: The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), C 10 H 10 Br 2 O 5 , was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO 3 . Like the previously reported 2,6-di-iodo-3,4,5-tri-meth-oxy-benzoic acid (DITMBA), the structure of the title compound features a catemeric arrangement of DBrTMBA mol-ecules along an endless chain of carb-oxy-lic H-carbonyl inter-actions. A short carbon-yl-phenyl contact hints at a possible lone pair(O)-π-hole inter-action further stabilizing the chain-like structure over a dimeric arrangement of the carb-oxy-lic acid.
(© Meurer et al. 2023.)
Databáze: MEDLINE
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