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Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate
In the crystal structure of the title hydrated quinolinium salt of ferron (8-hydroxy-7-iodoquinoline-5-sulfonic acid), C(9)H(7)N(+)·C(9)H(5)INO(4)S(−)·0.8H(2)O, the quinolinium cation is fully disordered over two sites (occupancy factors fixed at 0.63 and 0.37) lying essentially within a common pl...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588950/ https://www.ncbi.nlm.nih.gov/pubmed/23476186 http://dx.doi.org/10.1107/S1600536812046247 |
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author | Smith, Graham |
author_facet | Smith, Graham |
author_sort | Smith, Graham |
collection | PubMed |
description | In the crystal structure of the title hydrated quinolinium salt of ferron (8-hydroxy-7-iodoquinoline-5-sulfonic acid), C(9)H(7)N(+)·C(9)H(5)INO(4)S(−)·0.8H(2)O, the quinolinium cation is fully disordered over two sites (occupancy factors fixed at 0.63 and 0.37) lying essentially within a common plane and with the ferron anions forming π–π-associated stacks down the b axis [minimum ring centroid separation = 3.462 (6) Å]. The cations and anions are linked into chains extending along c through hydroxy O—H⋯O and quinolinium N—H⋯O hydrogen bonds to sulfonate O-atom acceptors which are also involved in water O—H⋯O hydrogen-bonding interactions along b, giving a two-dimensional network. |
format | Online Article Text |
id | pubmed-3588950 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35889502013-03-08 Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate Smith, Graham Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title hydrated quinolinium salt of ferron (8-hydroxy-7-iodoquinoline-5-sulfonic acid), C(9)H(7)N(+)·C(9)H(5)INO(4)S(−)·0.8H(2)O, the quinolinium cation is fully disordered over two sites (occupancy factors fixed at 0.63 and 0.37) lying essentially within a common plane and with the ferron anions forming π–π-associated stacks down the b axis [minimum ring centroid separation = 3.462 (6) Å]. The cations and anions are linked into chains extending along c through hydroxy O—H⋯O and quinolinium N—H⋯O hydrogen bonds to sulfonate O-atom acceptors which are also involved in water O—H⋯O hydrogen-bonding interactions along b, giving a two-dimensional network. International Union of Crystallography 2012-11-14 /pmc/articles/PMC3588950/ /pubmed/23476186 http://dx.doi.org/10.1107/S1600536812046247 Text en © Graham Smith 2012 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 Smith, Graham Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
title | Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
title_full | Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
title_fullStr | Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
title_full_unstemmed | Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
title_short | Quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
title_sort | quinolinium 8-hydroxy-7-iodoquinoline-5-sulfonate 0.8-hydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588950/ https://www.ncbi.nlm.nih.gov/pubmed/23476186 http://dx.doi.org/10.1107/S1600536812046247 |
work_keys_str_mv | AT smithgraham quinolinium8hydroxy7iodoquinoline5sulfonate08hydrate |