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4-溴-N-（丙基氨基甲酰基）苯磺酰胺的晶体结构

Crystal structure of 4-bromo--(propyl-carbamo-yl)benzene-sulfonamide.

作者信息

Bookwala Mustafa, Patel Saloni, Flaherty Patrick T, Wildfong Peter L D

机构信息

Graduate School of Pharmaceutical Sciences, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Apr 7;78(Pt 5):485-489. doi: 10.1107/S2056989022003723. eCollection 2022 May 1.

DOI:10.1107/S2056989022003723
PMID:35547791
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9069509/
Abstract

The title compound, CHBrNOS, , contains a sulfonyl urea moiety, which possesses potential therapeutic functions (, anti-diabetic and herbicidal). The geometry of is similar to its closely related analogues, chlorpropamide and tolbutamide. This compound crystallizes in the monoclinic space group 2/, having one mol-ecule in its asymmetric unit. The crystal structure of , recorded at 296 K, shows inter-molecular N-H⋯O and C-H⋯O-type infinite hydrogen-bonded chains involving the sulfonyl urea moiety. Hirshfeld surface analysis and the two-dimensional fingerprint plots confirmed hydrogen bonding as the dominant feature in the crystal packing.

摘要

标题化合物CHBrNOS含有一个磺酰脲部分，该部分具有潜在的治疗功能（抗糖尿病和除草）。其几何结构与其密切相关的类似物氯磺丙脲和甲苯磺丁脲相似。该化合物在单斜空间群P21/c中结晶，其不对称单元中有一个分子。在296 K下记录的该化合物的晶体结构显示，涉及磺酰脲部分的分子间N-H⋯O和C-H⋯O型无限氢键链。 Hirshfeld表面分析和二维指纹图谱证实氢键是晶体堆积中的主要特征。

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