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Crystal structure of (-)-(2R,3S,4R,5R)-5-(1,3-di-thian-2-yl)-3-methyl-1-(triiso-propyl-sil-yloxy)hexane-2,4-diol.

ABSTRACT: The title compound, C20H42O3S2Si, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo-tetrads with a 1,3-di-thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di-thiane ring adopts a chair conformation, while the rest of each mol-ecule displays a common zigzag conformation. There is an intra-molecular O-H?O hydrogen bond in each mol-ecule. In the crystal, the A and B mol-ecules 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)].

SUBMITTER: Cruz-Montanez A

PROVIDER: S-EPMC4257393 | biostudies-other | 2014 Dec

REPOSITORIES: biostudies-other

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Crystal structure of (-)-(2R,3S,4R,5R)-5-(1,3-di-thian-2-yl)-3-methyl-1-(triiso-propyl-sil-yloxy)hexane-2,4-diol.

Cruz-Montanez Alejandra A Piñero Cruz Dalice M DM Prieto Jose A JA

Acta crystallographica. Section E, Structure reports online 20141121 Pt 12

The title compound, C20H42O3S2Si, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo-tetrads with a 1,3-di-thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di-thiane ring adopts a chair conformation, while the rest of each mol-ecule displays a common zigzag conformation. There is an intra-molecular O-H⋯O hydrogen bond in each mol-ecule. In the crystal, the A and B mol-ecules are linked via O-H⋯O ...[more]

PMID: 25553049

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