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

Abstract

The title compound, 2,6-dibromo-3,4,5-trimethoxybenzoic acid (DBrTMBA), C10H10Br2O5, was obtained by bromination and transhalogenation of 2-iodo-3,4,5-trimethoxybenzoic acid with KBrO3. 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.

Keywords

• crystal structure
• hirshfeld atom refinement (har)
• nosphera2
• substituted trimethoxybenzoic acid