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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...

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Autores principales: Seethalakshmi, T., Manivannan, S., Dhanuskodi, S., Lynch, Daniel E., Thamotharan, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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].
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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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AT manivannans 4hydroxy126trimethylpyridiniumbromidemonohydrate
AT dhanuskodis 4hydroxy126trimethylpyridiniumbromidemonohydrate
AT lynchdaniele 4hydroxy126trimethylpyridiniumbromidemonohydrate
AT thamotharans 4hydroxy126trimethylpyridiniumbromidemonohydrate