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

Acta crystallographica. Section E, Crystallographic communications(2023)

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摘要
The title compound, 2,6-di-bromo-3,4,5-tri-meth-oxy-benzoic acid (DBrTMBA), CHBrO, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-tri-meth-oxy-benzoic acid with KBrO. 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.
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关键词
crystal structure,hirshfeld atom refinement (har),nosphera2,substituted trimethoxybenzoic acid
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