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2-（4-溴-苯磺酰胺基）乙酸

2-(4-Bromo-benzene-sulfonamido)acetic acid.

作者信息

Arshad Muhammad Nadeem, Khan Islam Ullah, Shafiq Muhammad, Khan Muhammad Naeem, Stoeckli-Evans Helen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1816. doi: 10.1107/S160053680902604X.

DOI:10.1107/S160053680902604X
PMID:21583519
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977417/
Abstract

The title compound, C(8)H(8)BrNO(4)S, a halogenated sulfon-amide, was prepared by basic hydrolysis of the methyl ester. In the crystal, mol-ecules form centrosymmetric hydrogen-bonded dimers via the carboxyl groups. These dimers are further linked by N-H⋯O inter-actions involving the carbonyl O and amide H atoms, forming a ribbon-like structure propagating in [010]. These ribbons are further linked via C-H⋯O inter-actions, forming a three-dimensional network.

摘要

标题化合物C(8)H(8)BrNO(4)S，一种卤代磺酰胺，通过甲酯的碱性水解制备。在晶体中，分子通过羧基形成中心对称的氢键二聚体。这些二聚体通过涉及羰基O和酰胺H原子的N-H⋯O相互作用进一步连接，形成在[010]方向传播的带状结构。这些带通过C-H⋯O相互作用进一步连接，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/76833b14da01/e-65-o1816-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/a38b9b82053a/e-65-o1816-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/83ce13de10fe/e-65-o1816-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/2fdd92e3b710/e-65-o1816-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/76833b14da01/e-65-o1816-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/a38b9b82053a/e-65-o1816-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/83ce13de10fe/e-65-o1816-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/2fdd92e3b710/e-65-o1816-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d3bd/2977417/76833b14da01/e-65-o1816-fig4.jpg

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本文引用的文献

1
2-(2-Iodo-benzenesulfonamido)acetic acid.2-(2-碘苯磺酰胺基)乙酸
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 18;65(Pt 3):o549. doi: 10.1107/S1600536809005248.
2
Methyl (4-bromo-benzene-sulfonamido)acetate.(4-溴-苯磺酰胺基)乙酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 20;64(Pt 12):o2380. doi: 10.1107/S1600536808037550.
3
2-(Benzene-sulfonamido)acetic acid.2-（苯磺酰胺基）乙酸
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2283-4. doi: 10.1107/S1600536808035721.
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Methyl 3-hydr-oxy-4-oxo-3,4-dihydro-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide monohydrate.3-羟基-4-氧代-3,4-二氢-2H-1,2-苯并噻嗪-3-羧酸甲酯1,1-二氧化物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 30;64(Pt 10):o2045. doi: 10.1107/S1600536808030948.
5
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.
6
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.