(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...

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Detalles Bibliográficos
Autores principales: Wang, Liang, Zhang, Chun-Mei, Guo, Jun-Xiang, Wu, Qiu-Ye, Hu, Hong-Gang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
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
Descripción
Sumario: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.

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