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Bis(4-aminopyridinium) sulfate monohydrate
The asymmetric unit of the title compound, 2C(5)H(7)N(2) (+)·SO(4) (2−)·H(2)O, contains two 4-aminopyridinium cations (A and B), a sulfate dianion and a water molecule. One of the 4-aminopyridinium cations (B) is disordered over two orientations with refined site occupancies of 0.568 (4) and 0.43...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007857/ https://www.ncbi.nlm.nih.gov/pubmed/21588615 http://dx.doi.org/10.1107/S1600536810030941 |
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author | Quah, Ching Kheng Fun, Hoong-Kun Isloor, Arun M. Isloor, Nishitha |
author_facet | Quah, Ching Kheng Fun, Hoong-Kun Isloor, Arun M. Isloor, Nishitha |
author_sort | Quah, Ching Kheng |
collection | PubMed |
description | The asymmetric unit of the title compound, 2C(5)H(7)N(2) (+)·SO(4) (2−)·H(2)O, contains two 4-aminopyridinium cations (A and B), a sulfate dianion and a water molecule. One of the 4-aminopyridinium cations (B) is disordered over two orientations with refined site occupancies of 0.568 (4) and 0.432 (4). The non-H atoms of the 4-aminopyridinium cations are essentially coplanar, with a maximum deviation of 0.055 (1) Å (in cation A), 0.022 (3) Å (for the major component in cation B) and 0.009 (3) Å (for the minor component in cation B). In the crystal, the sulfate O atoms link the 4-aminopyridinium cations and water molecules into a three-dimensional network via intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure is further consolidated by N—H⋯O(water) and C—H⋯O(water) hydrogen bonds. |
format | Text |
id | pubmed-3007857 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30078572010-12-30 Bis(4-aminopyridinium) sulfate monohydrate Quah, Ching Kheng Fun, Hoong-Kun Isloor, Arun M. Isloor, Nishitha Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, 2C(5)H(7)N(2) (+)·SO(4) (2−)·H(2)O, contains two 4-aminopyridinium cations (A and B), a sulfate dianion and a water molecule. One of the 4-aminopyridinium cations (B) is disordered over two orientations with refined site occupancies of 0.568 (4) and 0.432 (4). The non-H atoms of the 4-aminopyridinium cations are essentially coplanar, with a maximum deviation of 0.055 (1) Å (in cation A), 0.022 (3) Å (for the major component in cation B) and 0.009 (3) Å (for the minor component in cation B). In the crystal, the sulfate O atoms link the 4-aminopyridinium cations and water molecules into a three-dimensional network via intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure is further consolidated by N—H⋯O(water) and C—H⋯O(water) hydrogen bonds. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3007857/ /pubmed/21588615 http://dx.doi.org/10.1107/S1600536810030941 Text en © Quah et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Quah, Ching Kheng Fun, Hoong-Kun Isloor, Arun M. Isloor, Nishitha Bis(4-aminopyridinium) sulfate monohydrate |
title | Bis(4-aminopyridinium) sulfate monohydrate |
title_full | Bis(4-aminopyridinium) sulfate monohydrate |
title_fullStr | Bis(4-aminopyridinium) sulfate monohydrate |
title_full_unstemmed | Bis(4-aminopyridinium) sulfate monohydrate |
title_short | Bis(4-aminopyridinium) sulfate monohydrate |
title_sort | bis(4-aminopyridinium) sulfate monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007857/ https://www.ncbi.nlm.nih.gov/pubmed/21588615 http://dx.doi.org/10.1107/S1600536810030941 |
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