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9-[(E)-2-(2-甲氧基苯基)乙烯基]-3,4,5,6,7,9-六氢-2H-呫吨-1,8-二酮

9-[(E)-2-(2-Meth-oxy-phen-yl)ethen-yl]-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.

作者信息

Cha Joo Hwan, Pae Ae Nim, Lee Jae Kyun, Cho Yong Seo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o454. doi: 10.1107/S1600536812001419. Epub 2012 Jan 18.

DOI:10.1107/S1600536812001419
PMID:22347065
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275209/
Abstract

In the title compound, C(22)H(22)O(4), the two cyclo-hexenone rings adopt half-chair conformations, whereas the six-membered pyran ring adopts a flattened boat conformation, with the O and methine C atoms deviating from the plane of the other four atoms by 0.142 (2) and 0.287 (2)Å, respectively. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules into chains running parallel to the a axis.

摘要

在标题化合物C₂₂H₂₂O₄中，两个环己烯酮环呈半椅式构象，而六元吡喃环呈扁平船式构象，其中O原子和次甲基C原子分别偏离其他四个原子所在平面0.142 (2) Å和0.287 (2) Å。在晶体中，弱的C—H⋯O氢键将分子连接成平行于a轴的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f29c/3275209/84516ad377f0/e-68-0o454-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f29c/3275209/84516ad377f0/e-68-0o454-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f29c/3275209/84516ad377f0/e-68-0o454-fig1.jpg

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