2005Acta Crystallographica Section C Crystal Structure CommunicationsRequires access

An oxonium hydrogen sulfate of 3a,6a-diphenylglycoluril

Fangjun Huo, Cai-Xia Yin, Pin Yang

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Abstract

In the title compound, (5-oxo-3a,6a-diphenylperhydroimidazo[4,5-d]imidazol-2-ylidene)oxonium hydrogen sulfate, C16H15N4O2+ x HSO4-, the asymmetric unit contains a hydrogen sulfate anion and a 3a,6a-diphenylglycoluril oxonium cation. The hydrogen sulfate anion is joined to the oxonium cation via a strong O-H...O hydrogen bond (H...O = 1.69 A). The crystal packing is mainly dominated by interactions involving the hydrogen sulfate anion. The diphenylglycoluril oxonium cations also self-assemble through N-H...O hydrogen bonds, forming molecular chains along the [001] vector. Four intramolecular C-H...N hydrogen bonds are observed, having an S(5) motif.

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What this paper is about

In the title compound, (5-oxo-3a,6a-diphenylperhydroimidazo[4,5-d]imidazol-2-ylidene)oxonium hydrogen sulfate, C16H15N4O2+ x HSO4-, the asymmetric unit contains a hydrogen sulfate anion and a 3a,6a-diphenylglycoluril oxonium cation. The hydrogen sulfate anion is joined to the oxonium cation via a strong O-H...O hydrogen bond (H...O = 1.69 A). The crystal packing is mainly dominated by interactions involving the hydrogen sulfate anion. The diphenylglycoluril oxonium cations also self-assemble through N-H...O hydrogen bonds, forming molecular chains along the [001] vector. Four intramolecular C-H...N hydrogen bonds are observed, having an S(5) motif.

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Available abstract

In the title compound, (5-oxo-3a,6a-diphenylperhydroimidazo[4,5-d]imidazol-2-ylidene)oxonium hydrogen sulfate, C16H15N4O2+ x HSO4-, the asymmetric unit contains a hydrogen sulfate anion and a 3a,6a-diphenylglycoluril oxonium cation. The hydrogen sulfate anion is joined to the oxonium cation via a strong O-H...O hydrogen bond (H...O = 1.69 A). The crystal packing is mainly dominated by interactions involving the hydrogen sulfate anion. The diphenylglycoluril oxonium cations also self-assemble through N-H...O hydrogen bonds, forming molecular chains along the [001] vector. Four intramolecular C-H...N hydrogen bonds are observed, having an S(5) motif.

Key concepts: Oxonium ion, Hydrogen bond, Chemistry, Sulfate, Ion, Crystallography, Hydrogen, Crystal structure

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