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

Acta Crystallographica Section E: Crystallographic Communications

Shimon, L.J.W.¹  Gur, D.² 

[1] Chemical Research Support, Weizmann Institute of Science, 76100 Rehovot, Israel;Department of Structural Biology, Weizmann Institute of Science, 76100 Rehovot, Israel

关键词: CRYSTAL STRUCTURE;    GUANINE SALT;    NUCLEOBASE;    HYDROGEN BONDS;   

DOI  :  10.1107/S2056989015003163

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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 N1 and N7 has 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.

【 授权许可】

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