C 13 H 20 N 16 S 4 ,tetragonal, I4 (no. 82), a =13.2259(4) Å, c =6.
Source of materialAm ixture of 1-methyl-5-mercapto-1,2,3,4-tetrazole (4.64 g, 40mmol) and NaOH (1.6 g, 40mmol) in DMSO (20 mL) was stirred at 75°C for 1h ,a nd then pentaerythrityl tetrabromide (3.88 g, 10mmol) was added [1]. Themixture was cooled to room temperature after stirring at 75°C for 2ha nd then poured into 100.mL of water, and the colourless needle crystals formed immediately (yield 89 %).
Experimental detailsAll Hatomsbound to carbon were refined using ariding model with and d(C-H) =0.97 Å, U iso =1.5 U eq (C)for CH 2 atoms and d(C-H)=0.96Å,U iso =1.5U eq (C)for CH 3 atoms. The hydrogen atomsofthe disordered atomswere not included in the models.The disordered atoms(C3 and C3') were refined using Catoms split over two sites, with atotal occupancy of 1.