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7,7',8,8'-四甲氧基-4,4'-二甲基-3,5'-二色烯-2,2'-二酮

7,7',8,8'-Tetra-meth-oxy-4,4'-dimethyl-3,5'-bichromene-2,2'-dione.

作者信息

Fun Hoong-Kun, Jebas Samuel Robinson, Parveen Mehtab, Khanam Zakia, Ghalib Raza Murad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 20;65(Pt 6):o1322-3. doi: 10.1107/S1600536809018029.

DOI:10.1107/S1600536809018029
PMID:21583178
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969715/
Abstract

In the title mol-ecule, C(24)H(22)O(8), the mean planes of the two coumarin units are inclined to each other at a dihedral angle of 79.93 (3)°. The attached meth-oxy groups form torsion angles of 7.65 (19) and 78.36 (14)° with respect to one coumarin unit, and angles of 9.01 (16) and 99.08 (11)° with respect to the other coumarin unit. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds connect pairs of mol-ecules to form dimers, generating R(2) (2)(16) and R(2) (2)(18) rings; the dimers are linked by further weak inter-molecular C-H⋯O hydrogen bonds, forming extended chains. Additional stabil-ization is provided by weak C-H⋯π inter-actions.

摘要

在标题分子C₂₄H₂₂O₈中,两个香豆素单元的平均平面相互倾斜,二面角为79.93(3)°。连接的甲氧基相对于一个香豆素单元形成的扭转角为7.65(19)°和78.36(14)°,相对于另一个香豆素单元形成的角度为9.01(16)°和99.08(11)°。在晶体结构中,弱分子间C—H⋯O氢键连接分子对形成二聚体,生成R₂²(16)和R₂²(18)环;二聚体通过进一步的弱分子间C—H⋯O氢键相连,形成延伸链。弱C—H⋯π相互作用提供了额外的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/398b/2969715/e654654903fe/e-65-o1322-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/398b/2969715/d1ec26433a23/e-65-o1322-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/398b/2969715/e654654903fe/e-65-o1322-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/398b/2969715/d1ec26433a23/e-65-o1322-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/398b/2969715/e654654903fe/e-65-o1322-fig2.jpg

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