Crystal structure of 2-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-5-(4-nitrobenzylsulfanyl)-[1,3,4]oxadiazole, C17H13N3O5S

Abstract

C 17 H 13 N 3 O 5 S, triclinic, P1 (no. 2), a =7.199(1) Å, b =8.002(2) Å, c =14. Source of material,4-oxadiazo-le-2-thiol (1mmol, 0.268 g) and sodium hydroxide (1 mmol) in acetonitrile (50 mL) was added dropwise acetonitrile (5 mL) p-nitrobenzylbromide (1mmol), which of the latter being from the plant Flavescens. The resulting mixture was heated under reflux for 24 hand the reaction was monitored by thin layer chromatography (TLC). Afterwards the solution was cooled to room temperature and the organic solvent was removed in vacuo. The residue was dissolved in ethyl acetate and the organic layer was washed with saturated brine. Then the organic phase was dried over anhydrous Na 2 SO 4 ,filtered, and removed in vacuo. The purification of the residue by recrystallization from acetonitrile yielded the colourless block-shaped single crystals of the title compound.