A Redetermination of the Structure of 5,5′-Dithiobis(2-nitrobenzoic acid) monohydrate

The structure of the monohydrate of 5,5'-dithiobis(2-nitrobenzoic acid) has been redetermined and is reported in full. The compound crystallises in the centrosymmetric space group Pccn with unit cell parameters a = 11.3441(12), b = 13.7986(10), and c = 10.2422(7) angstrom, V = 1603.2 (2) angstrom(3). The structure was determined at 120 K and the location of hydrogen atoms identified by difference Fourier methods. The 5,5'-dithiobis(2-nitrobenzoic acid) molecules are arranged in sheets sustained by hydrogen bonds to water. Pairs of carboxylic acid groups are bridged by hydrogen bonds to two molecules of water in a rare embrace with graph set notation C-4(3) (12). Between the sheets there are other S center dot center dot center dot pi and C-H center dot center dot center dot O interactions. The solid state voltammetry and thermogravimetry of the compound are also reported.