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(2,4-二丙氧基苯基)硼酸。

(2,4-Dipropoxyphen-yl)boronic acid.

作者信息

Dąbrowski Marek, Durka Krzysztof, Luliński Sergiusz, Serwatowski Janusz

机构信息

Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3455. doi: 10.1107/S1600536811049737. Epub 2011 Nov 30.

DOI:10.1107/S1600536811049737
PMID:22199933
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239085/
Abstract

In the crystal, the title compound, C(12)H(19)BO(4), exists as a centrosymmetric O-H⋯O hydrogen-bonded dimer. Dimers are linked via C-H⋯O hydrogen bonds, generating an infinite zigzag chain oriented parallel to [1[Formula: see text]1]. The chains are assembled, giving sheets aligned parallel to (21[Formula: see text]) and inter-connected by weak C-H⋯π inter-actions, producing a three-dimensional network.

摘要

在晶体中,标题化合物C₁₂H₁₉BO₄以中心对称的O-H⋯O氢键二聚体形式存在。二聚体通过C-H⋯O氢键相连,形成一条平行于[1[化学式:见原文]1]的无限之字形链。这些链相互组装,形成平行于(21[化学式:见原文])排列的片层,并通过弱C-H⋯π相互作用相互连接,产生三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/682d2d3abfdb/e-67-o3455-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/1263da3a175d/e-67-o3455-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/b3e54680b0fa/e-67-o3455-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/682d2d3abfdb/e-67-o3455-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/1263da3a175d/e-67-o3455-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/b3e54680b0fa/e-67-o3455-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95ac/3239085/682d2d3abfdb/e-67-o3455-fig3.jpg

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本文引用的文献

1
2,4-Dibutoxy-phenyl-boronic acid.2,4-二丁氧基苯硼酸
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1669. doi: 10.1107/S1600536809023332.
2
(2-Butoxy-phen-yl)boronic acid.(2-丁氧基-苯基)硼酸
Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 16;64(Pt 2):o437. doi: 10.1107/S1600536808000457.
3
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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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.
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A convenient preparation of xanthene dyes.呫吨染料的简便制备方法。
J Org Chem. 2005 Aug 19;70(17):6907-12. doi: 10.1021/jo051002a.
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An empirical correction for absorption anisotropy.吸收各向异性的经验校正
Acta Crystallogr A. 1995 Jan 1;51 ( Pt 1):33-8. doi: 10.1107/s0108767394005726.