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(E)-2-(1-羟基-3-苯基-丙-2-烯-1-亚基)-4,5-二甲氧基-环戊-4-烯-1,3-二酮的三斜多晶型物。

A triclinic polymorph of (E)-2-(1-hy-droxy-3-phenyl-prop-2-en-1-yl-idene)-4,5-dimeth-oxy-cyclo-pent-4-ene-1,3-dione.

作者信息

Hosseinzadeh Masoumeh, Mukhtar Mat Ropi, Khalilzadeh Mohammad Ali, Khaledi Hamid

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o453. doi: 10.1107/S1600536812001043. Epub 2012 Jan 18.

DOI:10.1107/S1600536812001043
PMID:22347064
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3275208/
Abstract

The title compound, C(16)H(14)O(5), is a triclinic polymorph of a previously reported monoclinic structure [Hosseinzadeh et al. (2011 ▶). Acta Cryst. E67, o1544]. The mol-ecule is roughly planar, the r.m.s. deviation from the least-squares plane of all non-H atoms being 0.092 Å. In the crystal, adjacent mol-ecules are linked through C-H⋯O hydrogen bonds into an infinite two-dimensional network parallel to (011). The layers are further connected via C-H⋯π inter-actions, forming a three-dimensional structure. Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are also observed.

摘要

标题化合物C(16)H(14)O(5)是先前报道的单斜晶系结构[Hosseinzadeh等人(2011年▶)。《晶体学报》E67卷,o1544]的三斜晶系多晶型物。分子大致呈平面状,所有非H原子与最小二乘平面的均方根偏差为0.092 Å。在晶体中,相邻分子通过C—H⋯O氢键连接成平行于(011)的无限二维网络。这些层通过C—H⋯π相互作用进一步连接,形成三维结构。还观察到分子内的O—H⋯O和C—H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d02/3275208/d97f9f573628/e-68-0o453-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d02/3275208/fc66017e4a47/e-68-0o453-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d02/3275208/d97f9f573628/e-68-0o453-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d02/3275208/fc66017e4a47/e-68-0o453-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5d02/3275208/d97f9f573628/e-68-0o453-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1544. doi: 10.1107/S1600536811019386. Epub 2011 May 28.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.