Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate | |
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】
CC BY
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