Secondary Weak Interactions in the Crystal Structure of Thiamine Bromide

The x-ray crystal structure of thiamine bromide hydrate was studied. The crystals are monoclinic, a = 12.348, b = 24.852, c = 11.682 Å,β= 113.67°, Z = 4, space group P21/c. The crystal structure is constructed of two crystallographically independent thiamine cations, bromide anions, and water molecules. The thiamine cations have the F-conformation. The structure contains intermolecular short contacts involving S and N atoms of the thiazole ring.