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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...

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Autores principales: Quah, Ching Kheng, Fun, Hoong-Kun, Isloor, Arun M., Isloor, Nishitha
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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AT isloornishitha bis4aminopyridiniumsulfatemonohydrate