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4-[(4-氯苯基)(羟基)亚甲基]异苯并呋喃-1,3-二酮

4-[(4-Chloro-phen-yl)(hy-droxy)methyl-idene]isochromane-1,3-dione.

作者信息

Abou Akoun, Djandé Abdoulaye, Sessouma Bintou, Saba Adama, Kakou-Yao Rita

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3349. doi: 10.1107/S160053681104829X. Epub 2011 Nov 19.

DOI:10.1107/S160053681104829X
PMID:22199843
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238994/
Abstract

In the title compound, C(16)H(9)ClO(4), the six-membered heterocyclic ring adopts a screw-boat conformation. The benzene rings are oriented to each other at a dihedral angle of 59.26 (9)°. The mol-ecular structure exhibits a ring motif, viz. S(6), owing to an intra-molecular O-H⋯O hydrogen bond. The presence of C-H⋯O contacts generates an infinite chain along [001]. Also present are π-π stacking inter-actions between neighbouring isochromanedione benzene rings [centroid-centroid distance = 3.746 (1) Å], and C-O⋯π inter-actions [O⋯centroid = 3.934 (2) Å].

摘要

在标题化合物C₁₆H₉ClO₄中，六元杂环呈扭船式构象。苯环之间的二面角为59.26 (9)°。由于分子内O—H⋯O氢键，分子结构呈现出一种环模式，即S(6)。C—H⋯O接触的存在沿着[001]方向形成了一条无限长链。相邻异苯并二氢吡喃二酮苯环之间还存在π-π堆积相互作用[质心-质心距离 = 3.746 (1) Å]以及C—O⋯π相互作用[O⋯质心 = 3.934 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/b8beb990a904/e-67-o3349-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/7d4457e77416/e-67-o3349-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/61f721378fe3/e-67-o3349-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/b8beb990a904/e-67-o3349-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/7d4457e77416/e-67-o3349-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/61f721378fe3/e-67-o3349-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b9c/3238994/b8beb990a904/e-67-o3349-fig3.jpg

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本文引用的文献

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Synthesis of 4-hydroxy-7,8-dimethoxyisochroman-3-one and its plant growth-regulating properties on tobacco (Nicotiana tabacum cv. Petit Havana).4-羟基-7,8-二甲氧基异色满-3-酮的合成及其对烟草（烟草品种 Petit Havana）的植物生长调节特性
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