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5-溴-螺-[1,2-二氧六环-4,4'-三环-[4.3.1.1]十一烷]-3'-醇

5-Bromo-spiro-[1,2-dioxane-4,4'-tricyclo-[4.3.1.1]undeca-ne]-3'-ol.

作者信息

Robinson Tony V, Taylor Dennis K, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 24;66(Pt 1):o247. doi: 10.1107/S1600536809054762.

DOI:10.1107/S1600536809054762
PMID:21580128
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980170/
Abstract

The title compound, C(14)H(21)BrO(3), comprises a seven- (C(7)) and three six-membered (1 × O(2)C(4) and 2 × C(6)) rings, and each adopts a conformation based on a chair. Stability to the mol-ecular structure is afforded by an intra-molecular O-H⋯Br hydrogen bond. In the crystal structure, mol-ecules are arranged into a helical supra-molecular chain along the b axis, linked by C-H⋯O inter-actions, where the O-atom acceptor is one of the dioxane O atoms. The crystal studied was found to be a racemic twin. The major component was present 94% of the time.

摘要

标题化合物C(14)H(21)BrO(3)由一个七元环（C(7)）和三个六元环（1个O(2)C(4)环和2个C(6)环）组成，每个环均呈椅式构象。分子内的O-H⋯Br氢键赋予了分子结构稳定性。在晶体结构中，分子沿b轴排列成螺旋超分子链，通过C-H⋯O相互作用连接，其中O原子受体是二氧六环的O原子之一。所研究的晶体为外消旋孪晶。主要组分占比94%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/6b7bb8fb0e0c/e-66-0o247-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/c112dee27ad4/e-66-0o247-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/bc6bd864aeb3/e-66-0o247-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/6b7bb8fb0e0c/e-66-0o247-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/c112dee27ad4/e-66-0o247-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/bc6bd864aeb3/e-66-0o247-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d5dd/2980170/6b7bb8fb0e0c/e-66-0o247-fig3.jpg

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