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.

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-21 eCollection Date: 2014-12-01 DOI:10.1107/S160053681402443X
Alejandra Cruz-Montanez, Dalice M Piñero Cruz, Jose A Prieto
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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)].

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(-)-(2R,3S,4R,5R)-5-(1,3-二噻烷-2-基)-3-甲基-1-(三异丙基硅氧基)己烷-2,4-二醇的晶体结构。
标题化合物 C20H42O3S2Si 在不对称单元中结晶出两个独立的分子单元(A 和 B)。它们由具有 1,3-二噻吩基团的同、反、反立体四元环和作为三异丙基硅醚保护的伯醇组成。1,3-二噻吩环呈椅状构象,而每个分子的其余部分则呈常见的之字形构象。每个分子单元中都有一个分子内 O-H⋯O 氢键。在晶体中,A 和 B 摩尔分子通过 O-H⋯O 氢键相连,沿着 [010] 形成 -A-B-A--B- 链。绝对结构是通过共振散射(反常散射)[Flack 参数 = 0.035 (8)]确定的。
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1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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