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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 |
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author | Zhang, Rong-Rong Ma, Zhi-Guo Li, Guo-Qiang But, Paul Pui-Hay Jiang, Ren-Wang |
author_facet | Zhang, Rong-Rong Ma, Zhi-Guo Li, Guo-Qiang But, Paul Pui-Hay Jiang, Ren-Wang |
author_sort | Zhang, Rong-Rong |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-3247448 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32474482012-01-04 Tuberostemoamide hemihydrate Zhang, Rong-Rong Ma, Zhi-Guo Li, Guo-Qiang But, Paul Pui-Hay Jiang, Ren-Wang Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247448/ /pubmed/22220066 http://dx.doi.org/10.1107/S1600536811043340 Text en © Zhang 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 Zhang, Rong-Rong Ma, Zhi-Guo Li, Guo-Qiang But, Paul Pui-Hay Jiang, Ren-Wang Tuberostemoamide hemihydrate |
title | Tuberostemoamide hemihydrate |
title_full | Tuberostemoamide hemihydrate |
title_fullStr | Tuberostemoamide hemihydrate |
title_full_unstemmed | Tuberostemoamide hemihydrate |
title_short | Tuberostemoamide hemihydrate |
title_sort | tuberostemoamide hemihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247448/ https://www.ncbi.nlm.nih.gov/pubmed/22220066 http://dx.doi.org/10.1107/S1600536811043340 |
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