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2-羟基-2-(3-氧代丁-2-基)茚满-1,3-二酮

2-Hy-droxy-2-(3-oxobutan-2-yl)indan-1,3-dione.

作者信息

Ghalib Raza Murad, Hashim Rokiah, Mehdi Sayed Hasan, Yeap Chin Sing, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1576. doi: 10.1107/S1600536811020253. Epub 2011 Jun 4.

DOI:10.1107/S1600536811020253
PMID:21836987
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152143/
Abstract

In the indane ring system of the title mol-ecule, C(13)H(12)O(4), the hy-droxy-bearing C atom is 0.134 (1) Å out of the plane of the remaining essentially planar atoms (r.m.s. deviation = 0.010 Å). In the crystal, mol-ecules are linked into chains along the b axis by inter-molecular O-H⋯O hydrogen bonds. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

摘要

在标题分子C(13)H(12)O(4)的茚满环体系中,带有羟基的C原子偏离其余基本处于平面的原子平面0.134 (1) Å(均方根偏差 = 0.010 Å)。在晶体中,分子通过分子间O—H⋯O氢键沿b轴连接成链。弱分子间C—H⋯O氢键提供了额外的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f152/3152143/0777dcc89de2/e-67-o1576-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f152/3152143/917a2a75ad2f/e-67-o1576-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f152/3152143/0777dcc89de2/e-67-o1576-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f152/3152143/917a2a75ad2f/e-67-o1576-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f152/3152143/0777dcc89de2/e-67-o1576-fig2.jpg

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