ISSN:
1600-5759
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
In the title compound, 3-[(3,4-dihydro-2-methyl-4-oxopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium hexafluorophosphate monohydrate, C12H16N3O2S+·PF6−·H2O, oxythiamine is a monovalent cation with a neutral oxopyrimidine ring. The molecule assumes the F conformation, which is a common form for thiamine but which is substantially different from the unusual V conformation found in the chloride and hydrochloride salts of oxythiamine. The anion-bridging interaction, C—H...anion...pyrimidine, is emphasized as being important for stabilization of the F conformation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108270100009847
Permalink