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5,7 - 二羟基 - 2 -(3 - 羟基 - 4,5 - 二甲氧基苯基)- 6 - 甲氧基 - 4H - 色原酮 - 4 - 酮

5,7-Dihy-droxy-2-(3-hy-droxy-4,5-dimeth-oxy-phen-yl)-6-meth-oxy-4H-chromen-4-one.

作者信息

Adizov Shahobiddin M, Mukhamathanova Rimma F, Turgunov Kambarali K, Sham'yanov Ildar D, Tashkhodjaev Bakhodir

机构信息

S. Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent 100170, Uzbekistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 23;69(Pt 4):o578. doi: 10.1107/S1600536813007381. Print 2013 Apr 1.

DOI:10.1107/S1600536813007381
PMID:23634112
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629625/
Abstract

The title compound, C18H16O8, was isolated from the plant Artemisia baldshuanica Krasch et Zarp. The mol-ecule is approximately planar, with the exception of the terminal methyl groups, the C atoms of which devitate from their attached ring planes by 1.243 (5) and 1.168 (5) Å. The dihedral angle between the substituted benzopyran and benzene rings is 5.8 (1)°; this near planarity could be due to conjugation or a packing effect. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are connected by O-H⋯O hydrogen bonds involving the hy-droxy and carbonyl groups, forming hydrogen-bonded chains along [001] and [1-10]. The chains are linked by C-H⋯O inter-actions.

摘要

标题化合物C₁₈H₁₆O₈是从植物巴尔喀什蒿(Artemisia baldshuanica Krasch et Zarp)中分离得到的。除末端甲基外,分子近似平面结构,其C原子偏离与其相连的环平面的距离分别为1.243(5) Å和1.168(5) Å。取代苯并吡喃环与苯环之间的二面角为5.8(1)°;这种近乎平面的结构可能是由于共轭或堆积效应。分子内存在O—H⋯O和C—H⋯O氢键。在晶体中,分子通过涉及羟基和羰基的O—H⋯O氢键相连,沿[001]和[1-10]方向形成氢键链。这些链通过C—H⋯O相互作用连接。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f2c/3629625/3ca6a656414d/e-69-0o578-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f2c/3629625/3ca6a656414d/e-69-0o578-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f2c/3629625/3ca6a656414d/e-69-0o578-fig1.jpg

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