Triclopyr ethyl ester (1) has been co-synthesized through one-pot solvothermal reaction and the crystal structure has been determined by single crystal X-ray structure analysis. The compound C18H16Cl6N2O6 crystallizes in the monoclinic crystal system, P21/c space group with unit-cell parameters: a = 4.9615(2) Å, b = 30.9297(14) Å, c = 15.9155(10) Å, β = 91.466(4)° and Z = 4. Each unit cell is composed of two discrete, similar but reversely arranged triclopyr ethyl ester organic molecules. In the 3D packing plot, 1 is further assembled into a network structure via rich Cl⋯Cl halogen bond interactions. In addition, the crystal structure, the flexible conformation of phenoxy methylene group of 1 has been carefully compared and discussed with those of triclopyr acid.

中文翻译：

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绿草定乙酯的合成、晶体结构及构象分析

通过一锅溶剂热反应共合成绿草定乙酯（1），并通过单晶X射线结构分析确定了晶体结构。化合物 C18H16氯6ñ2○6在单斜晶系中结晶，磷21/C具有单胞参数的空间群：一个= 4.9615(2) 埃，b= 30.9297(14) 埃，C= 15.9155(10) 埃，β= 91.466(4)° 和Z= 4. 每个晶胞由两个离散的、相似但反向排列的绿草定乙酯有机分子组成。在3D包装图中，1进一步组装成网络结构通过丰富的 Cl⋯Cl 卤素键相互作用。此外，晶体结构、1 的苯氧基亚甲基的柔性构象已与绿草定酸进行了仔细的比较和讨论。