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2-(2,5-二氯-苯磺酰胺基)-3-甲基丁酸

2-(2,5-Dichloro-benzene-sulfonamido)-3-methyl-butanoic acid.

作者信息

Khan Islam Ullah, John Peter, Iqbal Haffsah, Sharif Shahzad, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2888. doi: 10.1107/S1600536810041620.

Abstract

The structure of the title compound, C(11)H(13)Cl(2)NO(4)S, shows one sulfonamide-O atom to lie almost in the plane of the benzene ring [C-C-S-O = -178.7 (2) °] and the other to one side [C-C-S-O = -49.4 (3)°]. Lying to the other side is the amine residue, which occupies a position almost perpendicular to the plane [C-S-N-C = 70.2 (2)°]; the carb-oxy-lic acid group is orientated to lie over the benzene ring. In the crystal, the appearance of an 11-membered {⋯OH⋯OCOH⋯OC(2)NH} synthon, which features the hy-droxy group forming both donor (to a carbonyl-O) and acceptor (from the amine-H) inter-actions, leads to the formation of a supra-molecular chain along the a axis. Chains are connected in the crystal structure by C-H⋯O contacts.

摘要

标题化合物C(11)H(13)Cl(2)NO(4)S的结构表明,一个磺酰胺 - O原子几乎位于苯环平面内[C - C - S - O = -178.7 (2)°],另一个则位于一侧[C - C - S - O = -49.4 (3)°]。胺残基位于另一侧,占据几乎垂直于该平面的位置[C - S - N - C = 70.2 (2)°];羧酸基团的取向是位于苯环上方。在晶体中,出现了一个11元{⋯OH⋯OCOH⋯OC(2)NH}合成子,其特征是羟基既形成供体(与羰基 - O)又形成受体(与胺 - H)相互作用,导致沿a轴形成超分子链。链在晶体结构中通过C - H⋯O接触相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3ef7/3009271/418bcb806f14/e-66-o2888-fig1.jpg

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