[H₂OT][PdCl₄], a Salt of the Protonated Oxythiamine Cation
with the Tetrachloropalladate(II) Tetrachloride Anion Synthesis
and Crystal Structure

A. S. Antsyshkina^a, G. G. Sadikov^a, and V. D. Makhaev^b

^a Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences,
Leninskii pr. 31, Moscow, 119991 Russia

^b Institute of Problems of Chemical Physics, Russian Academy of Sciences,
Chernogolovka, Moscow oblast, 142432 Russia

e-mail: antas@igic.ras.ru

Received August 14, 2007

Abstract—The interaction of oxythiamine chloride hydrochloride with a solution of palladium chloride in
hydrochloric acid affords a salt of protonated oxythiamine [H₂OT][PdCl₄] (I) (HOT is 4-methyl-3-[(2'-methyl-
4'-oxo-3',4'-dihydropyrimidinyl-5')methyl]-5-(2-hydroxyethyl)thiazolium, C₁₂H₁₆N₃O₂S⁺). The crystal struc-
ture of salt I is determined by X-ray diffraction analysis. The crystals are monoclinic: a = 9.474(3) Å, b =
13.822(2) Å, c = 13.626(4) Å, = 93.42(2), V = 1781.2(3) ų, Z = 4, space group 2₁/n. The structural units of
salt I are doubly-charged cations [H₂OT]²⁺ and anions [PdCl₄]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 _t = 64.9 and = 49.9 characteristic of the V' conformation.

DOI: 10.1134/S0036023608090118

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