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 Angstrom, beta = 113.67 degrees, Z = 4, space group P2(1)/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.