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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...

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Detalles Bibliográficos
Autores principales: Zhang, Rong-Rong, Ma, Zhi-Guo, Li, Guo-Qiang, But, Paul Pui-Hay, Jiang, Ren-Wang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
Descripción
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.