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1-（5-羟基-2,2,8,8-四甲基-2H,8H-吡喃并[2,3-f]色烯-6-基）-3-（4-甲氧基苯基）丙-2-烯-1-酮

1-(5-Hy-droxy-2,2,8,8-tetra-methyl-2H,8H-pyrano[2,3-f]chromen-6-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.

作者信息

Pawar Sunayna, Gopaul Kaalin, Moodley Thrineshan, Omondi Bernard, Koorbanally Neil

机构信息

School of Chemistry and Physics, University of KwaZulu-Natal, Durban 4000, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):o484. doi: 10.1107/S1600536813005734. Print 2013 Apr 1.

DOI:10.1107/S1600536813005734
PMID:23634037
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629519/
Abstract

In the biologically active title compound, C26H26O5, the pyran ring of the chromene unit adopts a half-chair conformation. The C=C double bond of the propenone unit exhibits a trans conformation and the carbonyl group is syn conformation to the double bond. The dihedral angle between the benzene ring and the benzopyran-one moiety is 31.54 (4)°. The mol-ecular structure is stabilized by an intra-molecular C=O⋯H-O hydrogen bond.

摘要

在具有生物活性的标题化合物C₂₆H₂₆O₅中，色烯单元的吡喃环呈半椅式构象。丙烯酮单元的C=C双键呈反式构象，羰基与双键呈顺式构象。苯环与苯并吡喃-酮部分之间的二面角为31.54 (4)°。分子结构通过分子内C=O⋯H-O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/3629519/0dda5a14b10f/e-69-0o484-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/3629519/0dda5a14b10f/e-69-0o484-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/584e/3629519/0dda5a14b10f/e-69-0o484-fig1.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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