2-甲基-4,4-二氧代-N-苯基-5,6-二氢-1,4-氧硫杂环己烷-3-甲酰胺（氧化萎锈灵）
2-Methyl-4,4-dioxo-N-phenyl-5,6-di-hydro-1,4-oxathiine-3-carboxamide (Oxycarboxin).
作者信息
Brown J Emery, Baughman Russell G
机构信息
Department of Chemistry, Truman State University, Kirksville, MO 63501-4221, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2654. doi: 10.1107/S1600536810037669.
Abstract
In the title compound, C(12)H(13)NO(4)S, a systemic fungicide, the heterocycle adopts a lounge chair conformation and the dihedral angle between the ring planes is 25.8 (2)°. Inter-molecular C-H⋯O hydrogen bonds are noted in the crystal structure. Also observed is a short inter-action of a methyl-ene hydrogen atom with the π-electron system of a phenyl ring in an adjacent mol-ecule.
摘要
在标题化合物C₁₂H₁₃NO₄S（一种内吸性杀菌剂）中，杂环呈躺椅构象，环平面之间的二面角为25.8 (2)°。在晶体结构中发现了分子间C—H⋯O氢键。还观察到一个亚甲基氢原子与相邻分子中苯环的π电子体系之间存在短程相互作用。
Zotero 插件