Abstract
In the crystal structure of the title salt, 3C5H6NO+·HSO4 −·SO4 2−·H2O, the hydrogen sulfate ion is linked to the sulfate ion by an O—H⋯O hydrogen bond. The hydrogen sulfate–sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water molecule, the hydrogen-bonding interactions giving rise to a three-dimensional hydrogen-bonded network. In the hydrogen sulfate–sulfate species, one of the sulfate groups is disordered in respect of its O atoms in a 2:1 ratio.
Highlights
In the crystal structure of the title salt, 3C5H6NO+ÁHSO4ÀÁSO42ÀÁH2O, the hydrogen sulfate ion is linked to the sulfate ion by an O—HÁ Á ÁO hydrogen bond
In the hydrogen sulfate–sulfate species, one of the sulfate groups is disordered in respect of its O atoms in a 2:1 ratio
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2676)
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.045; wR factor = 0.133; data-to-parameter ratio = 13.4. In the crystal structure of the title salt, 3C5H6NO+ÁHSO4ÀÁSO42ÀÁH2O, the hydrogen sulfate ion is linked to the sulfate ion by an O—HÁ Á ÁO hydrogen bond. The hydrogen sulfate–sulfate anion is a hydrogen-bond acceptor for the three independent cations and the uncoordinated water molecule, the hydrogen-bonding interactions giving rise to a three-dimensional hydrogen-bonded network. In the hydrogen sulfate–sulfate species, one of the sulfate groups is disordered in respect of its O atoms in a 2:1 ratio. Related literature For the crystal structure of bis(4-hydroxypyridinium) sulfate monohydrate, see: Xu et al (2009)
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