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...
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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 |
| _version_ | 1798031054478508032 |
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| author | Dvir Gur Linda J. W. Shimon |
| author_facet | Dvir Gur Linda J. W. Shimon |
| author_sort | Dvir Gur |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-11T19:50:03Z |
| format | Article |
| id | doaj.art-31726351d25540bdb7a10b8bede51b1b |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T19:50:03Z |
| publishDate | 2015-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-31726351d25540bdb7a10b8bede51b1b2022-12-22T04:06:19ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-03-0171328128310.1107/S2056989015003163pk2539Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrateDvir Gur0Linda J. W. Shimon1Department of Structural Biology, Weizmann Institute of Science, 76100 Rehovot, IsraelChemical Research Support, Weizmann Institute of Science, 76100 Rehovot, IsraelIn 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.http://scripts.iucr.org/cgi-bin/paper?S2056989015003163crystal structureguanine saltnucleobasehydrogen bonds |
| spellingShingle | Dvir Gur Linda J. W. Shimon Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate Acta Crystallographica Section E: Crystallographic Communications crystal structure guanine salt nucleobase hydrogen bonds |
| title | Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate |
| title_full | Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate |
| title_fullStr | Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate |
| title_full_unstemmed | Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate |
| title_short | Crystal structure of disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate |
| title_sort | crystal structure of disodium 2 amino 6 oxo 6 7 dihydro 1h purine 1 7 diide heptahydrate |
| topic | crystal structure guanine salt nucleobase hydrogen bonds |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015003163 |
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