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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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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
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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.
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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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AT jiangrenwang tuberostemoamidehemihydrate