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4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1)
In the title solvated salt, C(9)H(14)N(+)·Cl(−)·C(19)H(24)O(2)·0.5C(7)H(7), two molecules of 4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol) are linked via O—H⋯Cl hydrogen bonds to two chloride ions, each of which is also engaged in N—H⋯Cl hydrogen bonding to a 4-tert-butylpyridinium cation, gi...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998618/ https://www.ncbi.nlm.nih.gov/pubmed/24826127 http://dx.doi.org/10.1107/S1600536814004942 |
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author | Nielson, Alastair J. Waters, Joyce M. |
author_facet | Nielson, Alastair J. Waters, Joyce M. |
author_sort | Nielson, Alastair J. |
collection | PubMed |
description | In the title solvated salt, C(9)H(14)N(+)·Cl(−)·C(19)H(24)O(2)·0.5C(7)H(7), two molecules of 4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol) are linked via O—H⋯Cl hydrogen bonds to two chloride ions, each of which is also engaged in N—H⋯Cl hydrogen bonding to a 4-tert-butylpyridinium cation, giving a cyclic hydrogen-bonded entity centred at 1/2, 1/2, 1/2. The toluene solvent molecule resides in the lattice and resides on an inversion centre; the disorder of the methyl group requires it to have a site-occupancy factor of 0.5. No crystal packing channels are observed. |
format | Online Article Text |
id | pubmed-3998618 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39986182014-05-13 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) Nielson, Alastair J. Waters, Joyce M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title solvated salt, C(9)H(14)N(+)·Cl(−)·C(19)H(24)O(2)·0.5C(7)H(7), two molecules of 4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol) are linked via O—H⋯Cl hydrogen bonds to two chloride ions, each of which is also engaged in N—H⋯Cl hydrogen bonding to a 4-tert-butylpyridinium cation, giving a cyclic hydrogen-bonded entity centred at 1/2, 1/2, 1/2. The toluene solvent molecule resides in the lattice and resides on an inversion centre; the disorder of the methyl group requires it to have a site-occupancy factor of 0.5. No crystal packing channels are observed. International Union of Crystallography 2014-03-12 /pmc/articles/PMC3998618/ /pubmed/24826127 http://dx.doi.org/10.1107/S1600536814004942 Text en © Nielson and Waters 2014 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 Nielson, Alastair J. Waters, Joyce M. 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
title | 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
title_full | 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
title_fullStr | 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
title_full_unstemmed | 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
title_short | 4-tert-Butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
title_sort | 4-tert-butylpyridinium chloride–4,4′-(propane-2,2-diyl)bis(2,6-dimethylphenol)–toluene (2/2/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998618/ https://www.ncbi.nlm.nih.gov/pubmed/24826127 http://dx.doi.org/10.1107/S1600536814004942 |
work_keys_str_mv | AT nielsonalastairj 4tertbutylpyridiniumchloride44propane22diylbis26dimethylphenoltoluene221 AT watersjoycem 4tertbutylpyridiniumchloride44propane22diylbis26dimethylphenoltoluene221 |