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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 C 18 H 16 Cl 6 N 2 O 6  crystallizes in the monoclinic crystal system,  P 2 1 / 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.

The synthesis, crystal structure and conformation analysis of triclopyr ethyl ester