Abstract

The cations and anions of the title salt, 3C6H16N+·HSO4 −·SO4 2−, are linked by N—H⋯O and O—H⋯O hydrogen bonds into a three-dimensional network. The hydrogensulfate ion, with a single S—O(H) bond of 1.563 (2) Å, forms a short O—H⋯O hydrogen bond [O⋯O = 2.609 (2) Å] to the sulfate ion. The hydrogensulfate ion accepts two hydrogen bonds from two cations, whereas the sulfate ion, as an acceptor, binds to four cations. The sulfate ion is disordered approximately equally over two sites related by rotation around one of the O—S bonds.

Highlights

  • Structure Reports OnlineKey indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.050; wR factor = 0.122; data-to-parameter ratio = 18.8

  • The cations and anions of the title salt, 3C6H16N+ÁHSO4ÀÁSO42À, are linked by N—HÁ Á ÁO and O—HÁ Á ÁO hydrogen bonds into a three-dimensional network

  • The sulfate ion is disordered approximately over two sites related by rotation around one of the O—S bonds

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Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.050; wR factor = 0.122; data-to-parameter ratio = 18.8. The cations and anions of the title salt, 3C6H16N+ÁHSO4ÀÁSO42À, are linked by N—HÁ Á ÁO and O—HÁ Á ÁO hydrogen bonds into a three-dimensional network. The hydrogensulfate ion, with a single S—O(H) bond of 1.563 (2) A , forms a short O—HÁ Á ÁO hydrogen bond [OÁ Á ÁO = 2.609 (2) A ] to the sulfate ion. The hydrogensulfate ion accepts two hydrogen bonds from two cations, whereas the sulfate ion, as an acceptor, binds to four cations. The sulfate ion is disordered approximately over two sites related by rotation around one of the O—S bonds

Stoe IPDSII imaging plate diffractometer
DÁ Á ÁA
Related literature
Crystal data
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