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(+)-(1S,5R,6R)-6- [(S)-1-羟基-2-(甲氧基甲氧基)乙基]-1-甲基-3-三氯甲基-2-氮杂-4,7-二氧杂双环-[3.3.0]辛-2-烯-8-酮

(+)-(1S,5R,6R)-6-[(S)-1-Hy-droxy-2-(meth-oxy-meth-yloxy)eth-yl]-1-methyl-3-trichloro-methyl-2-aza-4,7-dioxa-bicyclo-[3.3.0]oct-2-en-8-one.

作者信息

Oishi Takeshi, Oishi Hiroki, Tsuzaki Syun, Sato Takaaki, Chida Noritaka

机构信息

School of Medicine, Keio University, Hiyoshi 4-1-1, Kohoku-ku, Yokohama 223-8521, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3185. doi: 10.1107/S1600536812042912. Epub 2012 Oct 20.

DOI:10.1107/S1600536812042912
PMID:23284496
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3515276/
Abstract

In the title compound, C(11)H(14)Cl(3)NO(6), the fused five-membered oxazoline and tetra-hydro-furan rings are essentially planar with maximum deviations of 0.069 (1) and 0.031 (1) Å, respectively, and make a dihedral angle of 64.23 (11)° with each other. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along the b-axis direction. Further C-H⋯O hydrogen bonds are observed between the chains.

摘要

在标题化合物C₁₁H₁₄Cl₃NO₆中,稠合的五元恶唑啉环和四氢呋喃环基本呈平面状,最大偏差分别为0.069 (1) Å和0.031 (1) Å,且彼此间形成的二面角为64.23 (11)°。在晶体中,分子通过O—H⋯O和C—H⋯O氢键相连,沿b轴方向形成链状结构。在这些链之间还观察到进一步的C—H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/623b/3515276/2faa8a3f0f38/e-68-o3185-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/623b/3515276/73b091c0947c/e-68-o3185-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/623b/3515276/2faa8a3f0f38/e-68-o3185-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/623b/3515276/73b091c0947c/e-68-o3185-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/623b/3515276/2faa8a3f0f38/e-68-o3185-fig2.jpg

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