Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate
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 par...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015003163 |
| Summary: | 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. |
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| ISSN: | 2056-9890 |