Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate

Author:

Gur Dvir,Shimon Linda J. W.

Abstract

In the title compound, disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate, 2Na+·C5H3N5O2−·7H2O, the structure is composed of alternating (100) layers of guanine molecules and hydrated Na+ions. Within the guanine layer, the molecules are arranged in centrosymmetric pairs, with a partial overlap between the guanine rings. In this compound, guanine exists as the amino–keto tautomer from which deprotonation from N1and N7has occurred (purine numbering). There are no direct interactions between the Na+cations and the guanine anions. Guanine molecules are linked to neighboring water molecules by O—H...N and O—H...O hydrogen bonds into a network structure.

Publisher

International Union of Crystallography (IUCr)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

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