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Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide

In the title compound, C(12)H(19)NO(6), the six-membered 1,3-dioxane ring adopts a chair-like conformation. The seat of this chair, containing two O atoms, is essentially planar, with a maximum deviation of 0.0021 (12) Å. The five-membered oxolane ring cis-fused to the 1,3-dioxane ring adopts an env...

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Autores principales: Oishi, Takeshi, Tsuzaki, Shun, Sugai, Tomoya, Sato, Takaaki, Chida, Noritaka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908510/
https://www.ncbi.nlm.nih.gov/pubmed/27308035
http://dx.doi.org/10.1107/S2056989016006800
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author Oishi, Takeshi
Tsuzaki, Shun
Sugai, Tomoya
Sato, Takaaki
Chida, Noritaka
author_facet Oishi, Takeshi
Tsuzaki, Shun
Sugai, Tomoya
Sato, Takaaki
Chida, Noritaka
author_sort Oishi, Takeshi
collection PubMed
description In the title compound, C(12)H(19)NO(6), the six-membered 1,3-dioxane ring adopts a chair-like conformation. The seat of this chair, containing two O atoms, is essentially planar, with a maximum deviation of 0.0021 (12) Å. The five-membered oxolane ring cis-fused to the 1,3-dioxane ring adopts an envelope form. The bridgehead C atom at the flap, which is bonded to the tetra­substituted C atom of the oxolane ring, deviates from the mean plane of other ring atoms by 0.539 (4) Å. In the crystal, classical O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a sheet structure enclosing an R (4) (4)(24) graph-set motif. Weak inter­molecular C—H⋯O inter­actions support the sheet formation.
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spelling pubmed-49085102016-06-15 Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide Oishi, Takeshi Tsuzaki, Shun Sugai, Tomoya Sato, Takaaki Chida, Noritaka Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(12)H(19)NO(6), the six-membered 1,3-dioxane ring adopts a chair-like conformation. The seat of this chair, containing two O atoms, is essentially planar, with a maximum deviation of 0.0021 (12) Å. The five-membered oxolane ring cis-fused to the 1,3-dioxane ring adopts an envelope form. The bridgehead C atom at the flap, which is bonded to the tetra­substituted C atom of the oxolane ring, deviates from the mean plane of other ring atoms by 0.539 (4) Å. In the crystal, classical O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a sheet structure enclosing an R (4) (4)(24) graph-set motif. Weak inter­molecular C—H⋯O inter­actions support the sheet formation. International Union of Crystallography 2016-04-29 /pmc/articles/PMC4908510/ /pubmed/27308035 http://dx.doi.org/10.1107/S2056989016006800 Text en © Oishi et al. 2016 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 Research Communications
Oishi, Takeshi
Tsuzaki, Shun
Sugai, Tomoya
Sato, Takaaki
Chida, Noritaka
Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
title Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
title_full Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
title_fullStr Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
title_full_unstemmed Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
title_short Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
title_sort crystal structure of (+)-n-[(1r,5s,6s,9s)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908510/
https://www.ncbi.nlm.nih.gov/pubmed/27308035
http://dx.doi.org/10.1107/S2056989016006800
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