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3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide
In the title compound, C(18)H(40)NO(2) (+)·Br(−), the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethylaminium groups and the bromide anions situated on the layer surface. The long...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977172/ https://www.ncbi.nlm.nih.gov/pubmed/21583537 http://dx.doi.org/10.1107/S160053680902635X |
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author | Fu, Shizhou Wei, Zengbin Wei, Xilian Wu, Tao |
author_facet | Fu, Shizhou Wei, Zengbin Wei, Xilian Wu, Tao |
author_sort | Fu, Shizhou |
collection | PubMed |
description | In the title compound, C(18)H(40)NO(2) (+)·Br(−), the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethylaminium groups and the bromide anions situated on the layer surface. The long alkyl chain in the cation adopts an all-trans conformation. In the crystal structure, molecules are connected by intermolecular O—H⋯Br hydrogen bonds, forming ionic pairs that are further connected into an extended chain structure via C—H⋯O hydrogen-bonding interactions. The crystal is chiral but nearly 90% of atoms in the unit cell are related by a pseudo-inversion center. The crystal shows racemic twinning with a 0.33:0.67 domain ratio. |
format | Text |
id | pubmed-2977172 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29771722010-12-30 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide Fu, Shizhou Wei, Zengbin Wei, Xilian Wu, Tao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(40)NO(2) (+)·Br(−), the ion pairs formed by the hydrogen-bonded bromide anions and organic cations are arranged into thick layers with the alkyl groups directed to the inside and the trimethylaminium groups and the bromide anions situated on the layer surface. The long alkyl chain in the cation adopts an all-trans conformation. In the crystal structure, molecules are connected by intermolecular O—H⋯Br hydrogen bonds, forming ionic pairs that are further connected into an extended chain structure via C—H⋯O hydrogen-bonding interactions. The crystal is chiral but nearly 90% of atoms in the unit cell are related by a pseudo-inversion center. The crystal shows racemic twinning with a 0.33:0.67 domain ratio. International Union of Crystallography 2009-07-11 /pmc/articles/PMC2977172/ /pubmed/21583537 http://dx.doi.org/10.1107/S160053680902635X Text en © Fu et al. 2009 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 Fu, Shizhou Wei, Zengbin Wei, Xilian Wu, Tao 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide |
title | 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide |
title_full | 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide |
title_fullStr | 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide |
title_full_unstemmed | 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide |
title_short | 3-Dodecyloxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium bromide |
title_sort | 3-dodecyloxy-2-hydroxy-n,n,n-trimethylpropan-1-aminium bromide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977172/ https://www.ncbi.nlm.nih.gov/pubmed/21583537 http://dx.doi.org/10.1107/S160053680902635X |
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