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(6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate
The title compound, C(15)H(23)N(2)S(+)·Cl(−)·0.5H(2)O, was prepared from (6aS,11aR,11cS)-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracene-8-one (sophocarpine) and Lawesson’s reagent. The thione-substituted ring is in an envelope conformation and the three other six-member...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151885/ https://www.ncbi.nlm.nih.gov/pubmed/21837131 http://dx.doi.org/10.1107/S160053681100972X |
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author | Wang, Liang Zhang, Chun-Mei Guo, Jun-Xiang Wu, Qiu-Ye Hu, Hong-Gang |
author_facet | Wang, Liang Zhang, Chun-Mei Guo, Jun-Xiang Wu, Qiu-Ye Hu, Hong-Gang |
author_sort | Wang, Liang |
collection | PubMed |
description | The title compound, C(15)H(23)N(2)S(+)·Cl(−)·0.5H(2)O, was prepared from (6aS,11aR,11cS)-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracene-8-one (sophocarpine) and Lawesson’s reagent. The thione-substituted ring is in an envelope conformation and the three other six-membered rings are in chair conformations. In the crystal, anions and cations are linked by N—H⋯Cl and weak C—H⋯Cl hydrogen bonds. One 0.5-occupancy solvent water molecule lies on a twofold rotation axis and another 0.25-occupancy solvent water molecule is in a general position. The H atoms of these water molecules were not located or included in the refinement. |
format | Online Article Text |
id | pubmed-3151885 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31518852011-08-11 (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate Wang, Liang Zhang, Chun-Mei Guo, Jun-Xiang Wu, Qiu-Ye Hu, Hong-Gang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(23)N(2)S(+)·Cl(−)·0.5H(2)O, was prepared from (6aS,11aR,11cS)-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracene-8-one (sophocarpine) and Lawesson’s reagent. The thione-substituted ring is in an envelope conformation and the three other six-membered rings are in chair conformations. In the crystal, anions and cations are linked by N—H⋯Cl and weak C—H⋯Cl hydrogen bonds. One 0.5-occupancy solvent water molecule lies on a twofold rotation axis and another 0.25-occupancy solvent water molecule is in a general position. The H atoms of these water molecules were not located or included in the refinement. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3151885/ /pubmed/21837131 http://dx.doi.org/10.1107/S160053681100972X Text en © Wang et al. 2011 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 Wang, Liang Zhang, Chun-Mei Guo, Jun-Xiang Wu, Qiu-Ye Hu, Hong-Gang (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate |
title | (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate |
title_full | (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate |
title_fullStr | (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate |
title_full_unstemmed | (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate |
title_short | (6aS,11aR,11cS)-8-Sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1H,4H-benzo[de]anthracen-3a-ium chloride hemihydrate |
title_sort | (6as,11ar,11cs)-8-sulfanylidene-2,3,5,6,6a,7,11,11a,11b,11c-decahydro-3a,7a-diaza-1h,4h-benzo[de]anthracen-3a-ium chloride hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151885/ https://www.ncbi.nlm.nih.gov/pubmed/21837131 http://dx.doi.org/10.1107/S160053681100972X |
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