Abstract
The crystal structure of thiamine propyl disulfide (TPD) was determined by the three dimensional Patterson superposition method and by application of least squares treatment and Fourier syntheses. The unit cell is monoclinic, space group P21/a, with a=21.04, b=11.35, c=8.53 A and β=101°36'. The propyl disulfido group has been found to lie cis to the N-formyl group, the result being consistent with the hitherto proposed structure for TPD. The structure of the pyrimidine portion was discussed in comparison with the results of earlier workers. The stereochemical structure of TPD and a unique hydrogen bonding in the crystal were also discussed.
