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4-[(羟基)(4-甲基苯基)亚甲基]异苯并呋喃-1,3-二酮

4-[(Hy-droxy)(4-methyl-phen-yl)methyl-idene]isochroman-1,3-dione.

作者信息

Abou Akoun, Djandé Abdoulaye, Saba Adama, Chiavassa Thierry, Kakou-Yao Rita

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o3. doi: 10.1107/S1600536811050975. Epub 2011 Dec 3.

DOI:10.1107/S1600536811050975
PMID:22259535
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3254283/
Abstract

In the title compound, C(17)H(12)O(4), the six-membered heterocyclic ring adopts a distorted screw-boat conformation. The mol-ecular structure exhibits an S(6) ring motif, owing to an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O contacts generate an infinite chain along the c axis. There are also π-π stacking inter-actions between neighbouring isochromanedione benzene rings, with a centroid-centroid distance of 3.755 (1) Å, and C-O⋯π inter-actions with an O⋯centroid distance of 3.964 (2) Å.

摘要

在标题化合物C₁₇H₁₂O₄中，六元杂环呈扭曲的螺旋船构象。由于分子内O—H⋯O氢键，分子结构呈现出S(6)环模式。在晶体中，弱的C—H⋯O接触沿c轴生成无限链。相邻的异色满二酮苯环之间还存在π-π堆积相互作用，质心间距为3.755 (1) Å，以及C—O⋯π相互作用，O⋯质心距离为3.964 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/c0c9802546e8/e-68-000o3-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/f4d2b31e7069/e-68-000o3-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/ff0aba6d805e/e-68-000o3-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/c0c9802546e8/e-68-000o3-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/f4d2b31e7069/e-68-000o3-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/ff0aba6d805e/e-68-000o3-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ee0/3254283/c0c9802546e8/e-68-000o3-fig3.jpg

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本文引用的文献

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