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1-（2-氟苯基）-6,7-二甲氧基异苯并二氢吡喃

1-(2-Fluoro-phen-yl)-6,7-dimethoxy-isochroman.

作者信息

Saeed Aamer, Simpson Jim, Stanley Roderick G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o867-8. doi: 10.1107/S160053680900926X.

DOI:10.1107/S160053680900926X
PMID:21582580
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969092/
Abstract

In the title compound, C(17)H(17)FO(3), the benzene ring of the isochroman unit is inclined at 84.96 (7)° to the fluoro-benzene ring plane, and the pyran ring adopts a half-boat conformation. In the crystal structure, C-H⋯O hydrogen bonds link mol-ecules into rows along the c axis, while C-H⋯O inter-actions and C-H⋯F hydrogen bonds to the fluorine acceptor stack the mol-ecules down the b axis. In addition, the crystal structure exhibits a weak C-H⋯π inter-action between a methyl H atom of the meth-oxy group and the dimethoxy-benzene ring of an adjacent mol-ecule.

摘要

在标题化合物C(17)H(17)FO(3)中，异色满单元的苯环与氟苯环平面呈84.96 (7)°倾斜，吡喃环呈半船式构象。在晶体结构中，C—H⋯O氢键将分子沿c轴连接成排，而C—H⋯O相互作用以及与氟受体的C—H⋯F氢键使分子沿b轴堆积。此外，晶体结构在甲氧基的一个甲基H原子与相邻分子的二甲氧基苯环之间表现出弱的C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/6bc74b3b28cf/e-65-0o867-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/29afcb0237c2/e-65-0o867-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/3268e995dc8c/e-65-0o867-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/6bc74b3b28cf/e-65-0o867-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/29afcb0237c2/e-65-0o867-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/3268e995dc8c/e-65-0o867-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2426/2969092/6bc74b3b28cf/e-65-0o867-fig3.jpg

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