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4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate
The title salt, C(8)H(12)NO(+)·Br(−)·H(2)O, is isomorphous with the chloride analogue [Seethalakshmi et al. (2013). Acta Cryst. E69, o835–o836]. In the solid state, the cations, anions and water molecules are interlinked by a network of O—H⋯O, O—H⋯Br and C—H⋯Br interactions. The water molecule m...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685086/ https://www.ncbi.nlm.nih.gov/pubmed/23795105 http://dx.doi.org/10.1107/S1600536813013330 |
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author | Seethalakshmi, T. Manivannan, S. Dhanuskodi, S. Lynch, Daniel E. Thamotharan, S. |
author_facet | Seethalakshmi, T. Manivannan, S. Dhanuskodi, S. Lynch, Daniel E. Thamotharan, S. |
author_sort | Seethalakshmi, T. |
collection | PubMed |
description | The title salt, C(8)H(12)NO(+)·Br(−)·H(2)O, is isomorphous with the chloride analogue [Seethalakshmi et al. (2013). Acta Cryst. E69, o835–o836]. In the solid state, the cations, anions and water molecules are interlinked by a network of O—H⋯O, O—H⋯Br and C—H⋯Br interactions. The water molecule makes two O—H⋯Br hydrogen bonds, generating [010] zigzag chains of alternating water molecules and bromide anions. The cation is involved in two intermolecular C—H⋯Cl interactions in the chloride salt, whereas three intermolecular C—H⋯Br interactions are observed in the title bromide salt. This additional intermolecular C—H⋯Br interaction links the adjacent water and bromide zigzag chains via cationic molecules. In addition, weak π–π stacking interactions are observed between pyridinium rings [centroid–centroid distance = 3.5664 (13) Å]. |
format | Online Article Text |
id | pubmed-3685086 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36850862013-06-21 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate Seethalakshmi, T. Manivannan, S. Dhanuskodi, S. Lynch, Daniel E. Thamotharan, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title salt, C(8)H(12)NO(+)·Br(−)·H(2)O, is isomorphous with the chloride analogue [Seethalakshmi et al. (2013). Acta Cryst. E69, o835–o836]. In the solid state, the cations, anions and water molecules are interlinked by a network of O—H⋯O, O—H⋯Br and C—H⋯Br interactions. The water molecule makes two O—H⋯Br hydrogen bonds, generating [010] zigzag chains of alternating water molecules and bromide anions. The cation is involved in two intermolecular C—H⋯Cl interactions in the chloride salt, whereas three intermolecular C—H⋯Br interactions are observed in the title bromide salt. This additional intermolecular C—H⋯Br interaction links the adjacent water and bromide zigzag chains via cationic molecules. In addition, weak π–π stacking interactions are observed between pyridinium rings [centroid–centroid distance = 3.5664 (13) Å]. International Union of Crystallography 2013-05-22 /pmc/articles/PMC3685086/ /pubmed/23795105 http://dx.doi.org/10.1107/S1600536813013330 Text en © Seethalakshmi et al. 2013 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 Seethalakshmi, T. Manivannan, S. Dhanuskodi, S. Lynch, Daniel E. Thamotharan, S. 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
title | 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
title_full | 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
title_fullStr | 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
title_full_unstemmed | 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
title_short | 4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
title_sort | 4-hydroxy-1,2,6-trimethylpyridinium bromide monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685086/ https://www.ncbi.nlm.nih.gov/pubmed/23795105 http://dx.doi.org/10.1107/S1600536813013330 |
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