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Acta Cryst. (2004). E60, o742-o744 [ doi:10.1107/S1600536804007640 ]
Abstract: The structure of the title compound, C5H6N5+·ClO4-·C5H5N5·2H2O, contains both an adeninium cation (AdeH+) and an adenine molecule (Ade). As a result of the protonation, the C-N-C angle at the protonated N atom is larger by 4° than the corresponding angle in the neutral adenine molecule. The crystal packing is governed by classical hydrogen bonds, connecting the Ade and AdeH+ moieties in the crystallographic [101] direction. In addition, AdeH+ and Ade form hydrogen bonds with the water molecules. These hydrogen bonds increase the dimensionality of the system to three-dimensional space. The water molecules are connected to each other by hydrogen bonds in the [001] direction.
Online 9 April 2004
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