title: An oxonium hydrogen sulfate of 3a,6a-diphenylglycoluril.
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.
authors.affiliation: Institute of Molecular Science, Chemical Biology and Molecular Engineering, Laboratory of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China.
authors.forename: Fang Jun
authors.initials: FJ
authors.lastname: Huo
authors.forename: Cai Xia
authors.initials: CX
authors.lastname: Yin
authors.forename: Pin
authors.initials: P
authors.lastname: Yang