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Dimethyl­ammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetra­methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa­hydro-1H-xanthen-9-yl)cyclo­hex-1-enolate 9-(2-hydr­oxy-4,4-dimethyl-6-oxocyclo­hex-1-en­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-1H-xanthene-1,8(2H)-dione n-hexane hemisolvate monohydrate

The main mol­ecule of the title compound, C(2)H(8)N(+)·C(25)H(31)O(5) (−)·C(25)H(32)O(5)·0.5C(6)H(14)·H(2)O, exists as two crystallographically independent mol­ecules, the hydr­oxy group of one being deprotonated. The pyran rings of both independent units adopt boat conformations. One of the two cyc...

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Detalles Bibliográficos
Autores principales: Hasanudin, Noorhafizah, Abdul Rahim, Aisyah Saad, Muhamad Salhimi, Salizawati, Goh, Jia Hao, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979890/
https://www.ncbi.nlm.nih.gov/pubmed/21579881
http://dx.doi.org/10.1107/S1600536810003107
Descripción
Sumario:The main mol­ecule of the title compound, C(2)H(8)N(+)·C(25)H(31)O(5) (−)·C(25)H(32)O(5)·0.5C(6)H(14)·H(2)O, exists as two crystallographically independent mol­ecules, the hydr­oxy group of one being deprotonated. The pyran rings of both independent units adopt boat conformations. One of the two cyclo­hexene rings of the xanthene unit adopts an envelope conformation whereas the other is in a half-chair conformation. The cyclo­hexene ring attached to the xanthene unit adopts an envelope conformation. The n-hexane solvent mol­ecule is disordered about a crystallographic glide plane and the symmetry-independent components are again disordered over two positions, each with an occupancy of 0.25. In the crystal structure, the xanthene derivatives are linked by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network with channels along the a axis. The dimethyl­ammonium cations and water mol­ecules lie in small channels and are linked to the framework via O—H.·O and N—H⋯O hydrogen bonds. The n-hexane solvent mol­ecules occupy large channels.