Abstract:The crystal structure of anhydrous 2,5-dhydroxyterephthalic acid, C8H6O6, was solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The published structure of 2,5-dihydroxyterephthalic acid dihydrate was also optimized. The carboxylic acid groups form strong hydrogen bonds, which form centrosymmetric rings with graph set R
2
2(8). These hydrogen bonds link the molecules into chains along [011]. There is an intra… Show more
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