Crystal structure of 1-(mesityl-2-sulphonyl)-3-nitro-1,2,4-triazole

Abstract

The crystal structure of 1-(mesityl-2-sulphonyl)-3-nitro -1,2,4-triazole (1a) has been determined from three-dimensional diffractometer data. The triclinic unit cell, P, has dimensions a= 8.001(1), b= 8.140(2), c= 12.892(1)Å, α= 98.22(1)°, β= 105.49(1)°, γ= 102.12(1)°, and Z= 2. The structure was solved by the heavy atom method and refined to R 0.0736 for 2 926 reflections (F_o > 3σF_o). The crystal structure confirms that the product of reaction of 3-nitrotriazole and mesitylenesulphonyl chloride is 1-(mesityl-2-sulphonyl)-3-nitro-1,2,4-triazole.