Volume 60, Issue 5 pp. o742-o744

Adeninium perchlorate adenine dihydrate

First published: 14 May 2004
Vladimír Zeleňák, e-mail: [email protected]

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.

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