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6-[3-(2,4-二甲基苯胺基)-2-羟基丙氧基]-1,8-二羟基-3-甲基-9,10-二氢蒽-9,10-二酮

6-[3-(2,4-Dimethyl-anilino)-2-hydroxy-prop-oxy]-1,8-dihydr-oxy-3-methyl-9,10-dihydro-anthracene-9,10-dione.

作者信息

Wang Xing-Po, Xu Wenfang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 23;65(Pt 2):o367. doi: 10.1107/S1600536809002347.

DOI:10.1107/S1600536809002347
PMID:21581965
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968285/
Abstract

In the title compound, C(26)H(25)NO(6), the anthraquinone ring system forms a dihedral angle of 15.5 (1)° with the benzene ring of the dimethyl-aniline group. Intra-molecular O-H⋯O hydrogen bonding is observed between the carbonyl and two hydroxyl groups. The mol-ecules are linked into a ribbon-like structure along the [100] direction by O-H⋯N and C-H⋯O hydrogen bonds. The crystal used was twinned via a 180° rotation about [100]. The ratio of the two twin components is 0.947 (1):0.053 (1).

摘要

在标题化合物C₂₆H₂₅NO₆中，蒽醌环系与二甲基苯胺基团的苯环形成15.5 (1)°的二面角。在羰基和两个羟基之间观察到分子内O—H⋯O氢键。分子通过O—H⋯N和C—H⋯O氢键沿[100]方向连接成带状结构。所使用的晶体通过围绕[100]旋转180°而孪晶化。两个孪晶组分的比例为0.947 (1):0.053 (1)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d2d8/2968285/c32dad68686a/e-65-0o367-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d2d8/2968285/7248f3e44463/e-65-0o367-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d2d8/2968285/c32dad68686a/e-65-0o367-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d2d8/2968285/7248f3e44463/e-65-0o367-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d2d8/2968285/c32dad68686a/e-65-0o367-fig2.jpg

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