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N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate
The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-N,N-dimethylmethanaminium chloride ethanol monosolvate}, C(22)H(36)N(+)·Cl(−)·C(2)H(6)O, was synthesized from dehydroabietylamine by N-methylation with formaldehyde/fo...
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/PMC3685098/ https://www.ncbi.nlm.nih.gov/pubmed/23795117 http://dx.doi.org/10.1107/S1600536813013846 |
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author | Huang, Xiu-Zhi Rao, Xiao-Ping Cui, Yan-Jie |
author_facet | Huang, Xiu-Zhi Rao, Xiao-Ping Cui, Yan-Jie |
author_sort | Huang, Xiu-Zhi |
collection | PubMed |
description | The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-N,N-dimethylmethanaminium chloride ethanol monosolvate}, C(22)H(36)N(+)·Cl(−)·C(2)H(6)O, was synthesized from dehydroabietylamine by N-methylation with formaldehyde/formic acid and transformation into the hydrochloride. The dehydroabietyl moiety exhibits the usual conformation with the two cyclohexane rings in chair and half-chair conformations and a trans-ring junction. The crystal structure is built up from columns of the dehydroabietyl moieties stacked along the a axis. These columns are held together by the chloride ions via N—H⋯Cl and C—H⋯Cl interactions, which establish a two-dimensional network parallel to (010). The ethanol solvent molecules are located between the columns and anchored via O—H⋯Cl hydrogen bonds. |
format | Online Article Text |
id | pubmed-3685098 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36850982013-06-21 N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate Huang, Xiu-Zhi Rao, Xiao-Ping Cui, Yan-Jie Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound {systematic name: 1-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-N,N-dimethylmethanaminium chloride ethanol monosolvate}, C(22)H(36)N(+)·Cl(−)·C(2)H(6)O, was synthesized from dehydroabietylamine by N-methylation with formaldehyde/formic acid and transformation into the hydrochloride. The dehydroabietyl moiety exhibits the usual conformation with the two cyclohexane rings in chair and half-chair conformations and a trans-ring junction. The crystal structure is built up from columns of the dehydroabietyl moieties stacked along the a axis. These columns are held together by the chloride ions via N—H⋯Cl and C—H⋯Cl interactions, which establish a two-dimensional network parallel to (010). The ethanol solvent molecules are located between the columns and anchored via O—H⋯Cl hydrogen bonds. International Union of Crystallography 2013-05-25 /pmc/articles/PMC3685098/ /pubmed/23795117 http://dx.doi.org/10.1107/S1600536813013846 Text en © Huang 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 Huang, Xiu-Zhi Rao, Xiao-Ping Cui, Yan-Jie N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate |
title |
N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate |
title_full |
N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate |
title_fullStr |
N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate |
title_full_unstemmed |
N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate |
title_short |
N,N-Dimethyldehydroabietylammonium chloride ethanol monosolvate |
title_sort | n,n-dimethyldehydroabietylammonium chloride ethanol monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685098/ https://www.ncbi.nlm.nih.gov/pubmed/23795117 http://dx.doi.org/10.1107/S1600536813013846 |
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