T. Prior, A. Sharp
Feb 2, 2010
Citations
1
Influential Citations
2
Citations
Journal
Journal of Chemical Crystallography
Abstract
The structure of 2,3,4-trihydroxybenzoic acid dihydrate has been determined at 120 K from a twinned crystal. The compound crystallizes in the centrosymmetric space group $$ \text{P}\bar{1} $$ with Z = 2 and unit cell parameters a = 6.6165(14), b = 7.2341(14), c = 9.716(2) Å, α = 75.632(16), β = 76.818(17), γ = 77.520(16)°. There is extensive hydrogen bonding within the structure and evidence for intermolecular π–π interactions between parallel aromatic rings. The compound does not display the familiar carboxylic acid hydrogen-bonded dimer found in many similar compounds. The 2,3,4-trihydroxybenzoic acid molecules are however arranged in a head-to-tail chain and linked through two water molecules in an unusual intermolecular hydrogen bonding motif.Graphical AbstractThe crystal structure of naturally occurring phenolic antioxidant 2,3,4-trihydroxybenzoic acid dihydrate was determined at 120 K from a twinned crystal.