Bookwala Mustafa, Patel Saloni, Flaherty Patrick T, Wildfong Peter L D
Graduate School of Pharmaceutical Sciences, Duquesne University, 600 Forbes Avenue, Pittsburgh, PA 15282, USA.
Acta Crystallogr E Crystallogr Commun. 2022 Apr 7;78(Pt 5):485-489. doi: 10.1107/S2056989022003723. eCollection 2022 May 1.
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.
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。