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1,8-双（4-甲基苯基）-11-氧杂三环-[6.2.1.0(2,7)]十一碳-2,4,6,9-四烯-9,10-二羧酸二甲酯

Dimethyl 1,8-bis-(4-methyl-phen-yl)-11-oxatri-cyclo-[6.2.1.0(2,7)]undeca-2,4,6,9-tetra-ene-9,10-di-carboxyl-ate.

作者信息

Balakrishnan B, Nandakumar Meganathan, Seshadri P R, Mohanakrishnan Arasambattu K

机构信息

Department of Physics, P.T. Lee Chengalvaraya Naicker College of Engineering and Technology, Kancheepuram 631 502, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 25;69(Pt 6):o951. doi: 10.1107/S1600536813013305. Print 2013 Jun 1.

DOI:10.1107/S1600536813013305
PMID:23795111
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685092/
Abstract

The title compound, C28H24O5, consists of a fused tricyclic system containing two five-membered rings and one six-membered ring. The five-membered rings both exhibit an envelope conformation with the O atom at the flap, whereas the six-membered ring adopts a boat conformation. The dihedral angle between the 4-methyl-phenyl rings at the 1,8-positions is 76.4 (1)°. In the crystal, mol-ecules are stacked in columns along the a axis through C-H⋯O inter-actions.

摘要

标题化合物C28H24O5由一个稠合的三环体系组成，该体系包含两个五元环和一个六元环。两个五元环均呈现信封式构象，O原子位于折边上，而六元环采用船式构象。1,8位上的4-甲基苯环之间的二面角为76.4 (1)°。在晶体中，分子通过C—H⋯O相互作用沿a轴堆积成列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e272/3685092/36f4b672c437/e-69-0o951-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e272/3685092/6990dbf2fb1f/e-69-0o951-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e272/3685092/36f4b672c437/e-69-0o951-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e272/3685092/6990dbf2fb1f/e-69-0o951-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e272/3685092/36f4b672c437/e-69-0o951-fig2.jpg

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