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Dostęp zamkniętyDifferences and similarities among hypoxanthinium nitrate hydrate structures
| cris.lastimport.scopus | 2024-02-12T20:08:48Z |
| dc.abstract.en | Crystals of hypoxanthinium (6-oxo-1H,7H-purin-9-ium) nitrate hydrates were investigated by means of X-ray diffraction at different temperatures. The data for hypoxanthinium nitrate monohydrate (C5H5N4O+NO3 H2O, Hx1) were collected at 20, 105 and 285 K. The room-temperature phase was reported previously [Schmalle et al. (1990). Acta Cryst. C46, 340–342] and the lowtemperature phase has not been investigated yet. The structure underwent a phase transition, which resulted in a change of space group from Pmnb to P21/n at lower temperature and subsequently in nonmerohedral twinning. The structure of hypoxanthinium dinitrate trihydrate (H3O+C5H5N4O+2NO3 - 2H2O, Hx2) was determined at 20 and 100 K, and also has not been reported previously. The Hx2 structure consists of two types of layers: the ‘hypoxanthinium nitrate monohydrate’ layers (HX) observed in Hx1 and layers of Zundel complex H3O+H2O interacting with nitrate anions (OX). The crystal can be considered as a solid solution of two salts, i.e. hypoxanthinium nitrate monohydrate, C5H5N4O+NO3 H2O, and oxonium nitrate monohydrate, H3O+(H2O)NO3 . |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Gajda, Roman |
| dc.contributor.author | Cabaj, Małgorzata Katarzyna |
| dc.contributor.author | Dominiak, Paulina |
| dc.contributor.author | Makal, Anna |
| dc.contributor.author | Hoser, Anna |
| dc.date.accessioned | 2024-01-24T21:48:44Z |
| dc.date.available | 2024-01-24T21:48:44Z |
| dc.date.issued | 2019 |
| dc.description.finance | Nie dotyczy |
| dc.description.volume | C75 |
| dc.identifier.doi | 10.1107/S2053229619008702 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/104848 |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Acta crystallographica. Section C, Structural chemistry |
| dc.relation.pages | 1036-1044 |
| dc.rights | ClosedAccess |
| dc.sciencecloud | nosend |
| dc.subject.en | hypoxanthinium |
| dc.subject.en | Zundel |
| dc.subject.en | nitrate |
| dc.subject.en | hydrogen bonding |
| dc.subject.en | noncovalent interactions |
| dc.subject.en | NCI |
| dc.subject.en | crystal structure |
| dc.subject.en | nucleobases |
| dc.title | Differences and similarities among hypoxanthinium nitrate hydrate structures |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |