Abstract
The interaction of oxythiamine chloride hydrochloride with a solution of palladium chloride in hydrochloric acid affords a salt of protonated oxythiamine (H 2 OT )( PdCl 4 ) ( I ) (HOT is 4-methyl-3-((2'-methyl- 4'-oxo-3',4'-dihydropyrimidinyl-5')methyl)-5-(2-hydroxyethyl)thiazolium, C 12 H 16 N 3 O 2 S + ). The crystal struc- ture of salt I is determined by X-ray diffraction analysis. The crystals are monoclinic: a = 9.474(3) A, b = 13.822(2) A, c = 13.626(4) A, β = 93.42(2)° , V = 1781.2(3) A 3 , Z = 4, space group e 2 1 / n . The structural units of salt I are doubly-charged cations ( H 2 OT ) 2+ and anions ( PdCl 4 ) 2- joined by hydrogen bonds and electrostatic interaction into dimeric supermolecules. The thiazolium and pyrimidine rings in the cation are planar (the dihe- dral angle between the planes is 89.6° ) and oriented relative to the linking methylene center to form torsion angles Φ t = 64.9° and Φ = 49.9° characteristic of the V ' conformation.
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