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- Title
A Redetermination of the Structure of 5,5′-Dithiobis(2-nitrobenzoic acid) monohydrate.
- Authors
Prior, Timothy; Wadhawan, Jay
- Abstract
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) Å, V = 1603.2 (2) Å. 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(12). Between the sheets there are other S···π and C-H···O interactions. The solid state voltammetry and thermogravimetry of the compound are also reported. Graphical Abstract: We report the crystal structure of the monohydrate of 5,5′-dithiobis(2-nitrobenzoic acid) (Ellman's reagent), which displays unusual hydrogen bonding between carboxylic acid groups and water.[Figure not available: see fulltext.]
- Subjects
HYDRATES; NITROBENZOIC acid; CRYSTAL structure; HYDROGEN bonding; CHEMICAL reagents; CARBOXYLIC acids
- Publication
Journal of Chemical Crystallography, 2012, Vol 42, Issue 12, p1190
- ISSN
1074-1542
- Publication type
Article
- DOI
10.1007/s10870-012-0375-9