Andrew J. Sharp
The structure of the antioxidant 2,3,4-trihydroxybenzoic acid dihydrate
Sharp, Andrew J.; Prior, Timothy J.
Dr Timothy Prior T.Prior@hull.ac.uk
Lecturer in Inorganic Chemistry
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 P1̄ 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. © Springer Science+Business Media, LLC 2010.
|Journal Article Type||Article|
|Journal||JOURNAL OF CHEMICAL CRYSTALLOGRAPHY|
|Peer Reviewed||Peer Reviewed|
|APA6 Citation||Sharp, A. J., & Prior, T. J. (2010). The structure of the antioxidant 2,3,4-trihydroxybenzoic acid dihydrate. Journal of chemical crystallography, 40(7), 630-633. https://doi.org/10.1007/s10870-010-9708-8|
|Keywords||Spectroscopy; Structural Biology; Condensed Matter Physics|