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Tuberostemoamide hemihydrate
In the crystal structure of the title compound {systematic name: (1′S,2R,2′R,3′S,6′R)-3′-ethyl-4-methyl-5H-5′-oxa-10′-azaspiro[furan-2,4′-tricyclo[8.3.0.0(2,6)]tridecane]-5,11′-dione hemihydrate}, C(17)H(23)NO(4)·0.5H(2)O, the asymmetric unit contains two molecules of tuberostemoamide with simi...
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/PMC3247448/ https://www.ncbi.nlm.nih.gov/pubmed/22220066 http://dx.doi.org/10.1107/S1600536811043340 |
Sumario: | In the crystal structure of the title compound {systematic name: (1′S,2R,2′R,3′S,6′R)-3′-ethyl-4-methyl-5H-5′-oxa-10′-azaspiro[furan-2,4′-tricyclo[8.3.0.0(2,6)]tridecane]-5,11′-dione hemihydrate}, C(17)H(23)NO(4)·0.5H(2)O, the asymmetric unit contains two molecules of tuberostemoamide with similar conformations and one water molecule. The tuberostemoamide molecule is composed of one seven-membered ring (A) and three five-membered rings (B, C and D). Ring A exists in a chair conformation, both rings B and C exist in envelope conformations, and ring D is almost planar with a mean deviation of 0.0143 (4) Å in one molecule and 0.0095 (3) Å in the other.. The dihedral angles between the planes of rings C and D are 75.1 (3)° in one molecule and 74.5 (3)° for the other. The solvent water molecule links the tuberostemoamide molecules through O—H⋯O(ketone) hydrogen bonds. Weak C—H⋯O interactions are also present, involving both the water molecule and a heterocyclic ether O-atom acceptor. |
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