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- W1996804846 abstract "Three salts of oxythiamine, (oxythiamineH)(picrolonate)2·2H2O (1), (oxythiamineH)(PtCl6) (2) and (oxythiamineH)2-(V10O28H2)·8H2O (3), and a metal complex Pt(oxythiamine)Cl3·H2O (4) have been prepared and characterized by X-ray diffraction. In the salts 1, 2 and 3, the oxythiamine molecule exists as a divalent cation with both the N(1′) and the N(3′) sites protonated. In 1, oxythiamine adopts a novel conformation termed as the V′-form, with φT=−63.1(6) and φP=−54.7(6)°, where the oxo O(4′α) makes an electrostatic interaction with the thiazolium ring to stabilize the V′-form. 2 and 3 are the first crystal structures in which oxythiamine assumes the F-conformation, with φT and φP being −5.3(9) and −84.8(7)°, respectively, for 2, and 3.9(4) and 76.6(3)° for 3. In 2 and 3 the anion-bridge of the type C(2)H⋯anion⋯pyrimidine ring stabilizes the F-form, where the anion is a PtCl6 2− ion in 2 and a decavanadate ion in 3. The water-bridge of the type O(4′α)⋯water⋯thiazolium ring and the anion-bridge of the C(6′)H⋯anion⋯thiazolium ring type are additional structural features which stabilize the F-form in 3. The metal complex 4 provides the first X-ray example showing the direct metal bonding to oxythiamine. The N(1′)-metallated oxythiamine is in the usual V-conformation with φT=104.0(9) and φP=−72.6(8)°, which is stabilized by a close contact between O(4′α) and the thiazolium moiety." @default.
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- W1996804846 title "Novel structural aspects of oxythiamine, an antagonist of thiamine. Crystal structures of three salts, (oxythiamineH)(picrolonate)2·2H2O, (oxythiamineH)(PtCl6), (oxythiamineH)2(V10O28H2)·8H2O, and a metal complex Pt(oxythiamine)Cl3·H2O" @default.
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- W1996804846 doi "https://doi.org/10.1016/s0020-1693(99)00310-2" @default.
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