Crystal structure of 2-[3,5-bis(trifluoromethyl)benzylsulfanyl]-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole, C₁₅H₇BrF₆N₂OS₂

Abstract

C15H7BrF 6 N 2 OS 2 , monoclinic, P21/c (no. 14), a = 18.8292(14) Å, b = 11.4568(9) Å, c = 8.3400 (6) CCDC no.: 1481834The crystal structure is shown in the gure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of material3,5-Bis(tri uoromethyl)benzyl bromide (614 mg, 2.0 mmol) and anhydrous potassium carbonate (276 mg, 2.0 mmol) were added to a solution of 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-thiol (526 mg, 2.0 mmol), in N,Ndimethylformamide (5 mL), and the mixture was stirred 87, 121.92, 124.76, 125.75, 130.52, 130.87, 131.51, 132.60, 141.38 Experimental detailsH atoms were placed in calculated positions and were included in the re nement in the riding model approximation. The uorine atoms of the disorderd CF 3 -group were located on a di erence Fourier map and re ned freely. Discussion1,3,4-Oxadiazole derivatives were early identi ed as a structural motif of particular interest in medicinal chemistry, material sciences and agrochemistry. Some 1,3,4-oxadiazoles have occupied a unique situation in the eld of medicinal