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Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol

The title compound, C(20)H(42)O(3)S(2)Si, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo­tetrads with a 1,3-di­thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di­thiane ring adopts a chair conf...

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Detalles Bibliográficos
Autores principales: Cruz-Montanez, Alejandra, Piñero Cruz, Dalice M., Prieto, Jose A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257393/
https://www.ncbi.nlm.nih.gov/pubmed/25553049
http://dx.doi.org/10.1107/S160053681402443X
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author Cruz-Montanez, Alejandra
Piñero Cruz, Dalice M.
Prieto, Jose A.
author_facet Cruz-Montanez, Alejandra
Piñero Cruz, Dalice M.
Prieto, Jose A.
author_sort Cruz-Montanez, Alejandra
collection PubMed
description The title compound, C(20)H(42)O(3)S(2)Si, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo­tetrads with a 1,3-di­thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di­thiane ring adopts a chair conformation, while the rest of each mol­ecule displays a common zigzag conformation. There is an intra­molecular O—H⋯O hydrogen bond in each mol­ecule. In the crystal, the A and B mol­ecules are linked via O—H⋯O hydrogen bonds, forming –A–B–A--B-- chains along [010]. The absolute structure was determined by resonant scattering (anomalous scattering) [Flack parameter = 0.035 (8)].
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spelling pubmed-42573932014-12-31 Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol Cruz-Montanez, Alejandra Piñero Cruz, Dalice M. Prieto, Jose A. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(20)H(42)O(3)S(2)Si, crystallized with two independent mol­ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo­tetrads with a 1,3-di­thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di­thiane ring adopts a chair conformation, while the rest of each mol­ecule displays a common zigzag conformation. There is an intra­molecular O—H⋯O hydrogen bond in each mol­ecule. In the crystal, the A and B mol­ecules are linked via O—H⋯O hydrogen bonds, forming –A–B–A--B-- chains along [010]. The absolute structure was determined by resonant scattering (anomalous scattering) [Flack parameter = 0.035 (8)]. International Union of Crystallography 2014-11-21 /pmc/articles/PMC4257393/ /pubmed/25553049 http://dx.doi.org/10.1107/S160053681402443X Text en © Cruz-Montanez et al. 2014 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 Data Reports
Cruz-Montanez, Alejandra
Piñero Cruz, Dalice M.
Prieto, Jose A.
Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
title Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
title_full Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
title_fullStr Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
title_full_unstemmed Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
title_short Crystal structure of (−)-(2R,3S,4R,5R)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
title_sort crystal structure of (−)-(2r,3s,4r,5r)-5-(1,3-di­thian-2-yl)-3-methyl-1-(triiso­propyl­sil­yloxy)hexane-2,4-diol
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257393/
https://www.ncbi.nlm.nih.gov/pubmed/25553049
http://dx.doi.org/10.1107/S160053681402443X
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