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2-苯磺酰胺基-3-甲基丁酸

2-Benzene-sulfonamido-3-methyl-butyric acid.

作者信息

Arshad Muhammad Nadeem, Danish Muhammad, Tahir Muhammad Nawaz, Aabideen Zain Ul, Asiri Abdullah M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2665. doi: 10.1107/S1600536812034393. Epub 2012 Aug 8.

DOI:10.1107/S1600536812034393
PMID:22969560
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435689/
Abstract

In the crystal structure of the title compound, C(11)H(15)NO(4)S, two independent mol-ecules are present per asymmetric unit; they are dimerized through O-H⋯O hydrogen bonds between their carb-oxy groups to generate R(2) (2)(8) loops. An intra-molecular N-H⋯O link in one of the mol-ecules closes an S(5) ring. The dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds to form a three-dimensional network. The C atoms of the isopropyl group of one of the mol-ecules are disordered over two orientations in a 3:1 ratio.

摘要

在标题化合物C₁₁H₁₅NO₄S的晶体结构中,每个不对称单元中有两个独立的分子;它们通过羧基之间的O—H⋯O氢键二聚化,形成R₂²(8)环。其中一个分子内的N—H⋯O连接形成一个S(5)环。二聚体通过N—H⋯O和C—H⋯O氢键相连,形成三维网络。其中一个分子异丙基的C原子在两种取向上无序,比例为3:1。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac8d/3435689/14ac253bc239/e-68-o2665-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac8d/3435689/170e600b701f/e-68-o2665-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac8d/3435689/14ac253bc239/e-68-o2665-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac8d/3435689/170e600b701f/e-68-o2665-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac8d/3435689/14ac253bc239/e-68-o2665-fig2.jpg

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