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9,10-二氧代-9,10-二氢蒽-1,4-二基二乙酸酯

9,10-Dioxo-9,10-di-hydro-anthracene-1,4-diyl di-acetate.

作者信息

Zhang Jing-Jing, Yin Cai-Xia, Huo Fang-Jun

机构信息

Institute of Molecular Science, Chemical Biology and Molecular Engineering Laboratory of Education Ministry, University of Shanxi, Taiyuan, Shanxi 030006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o788. doi: 10.1107/S1600536813010635. Print 2013 May 1.

Abstract

In the title compound, C18H12O6, the anthra-quinone ring system is nearly planar [maximum deviation = 0.161 (3) Å] and both acetate groups are located on the same side of the ring plane. A supra-molecular architecture arises in the crystal owing to π-π stacking between parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.883 (4) Å] and weak inter-molecular C-H⋯O hydrogen bonding.

摘要

在标题化合物C₁₈H₁₂O₆中,蒽醌环系近乎平面 [最大偏差 = 0.161 (3) Å],且两个乙酸酯基团位于环平面的同一侧。由于相邻分子的平行苯环之间的π-π堆积 [质心-质心距离 = 3.883 (4) Å] 和弱分子间C-H⋯O氢键,在晶体中形成了超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c66b/3648311/bc45c73728b6/e-69-0o788-fig1.jpg

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