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Host-guest-like thiamine-anion complexation in thiaminium bis(tetrafluoroborate)



Host-guest-like thiamine-anion complexation in thiaminium bis(tetrafluoroborate)



Acta Crystallographica. Section C, Crystal Structure Communications 57(Pt 9): 1064-1066



In the title compound, 3-[(4-amino-2-methyl-5-pyrimidin-1-io)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium(2+) bis(tetrafluoroborate), C(12)H(18)N(4)OS(2+).2BF(4)(-), the divalent thiamine cation (in the F conformation) is associated with BF(4)(-) anions via two characteristic bridging interactions between the thiazolium and pyrimidinium rings, i.e. C-H...BF(4)(-)...pyrimidinium and N-H...BF(4)(-)...thiazolium interactions. Thiamine molecules are linked by N-H...O hydrogen bonds to form a helical chain structure.

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Accession: 046274986

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PMID: 11588373

DOI: 10.1107/s0108270101009222


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