Spectral characterization and crystal structure of 5-spiro-(3-methyl-2,6-diphenyltetrahydropyran-4-yl)-4,5-dihydro-[1,3,4]thiadiazole

The synthesis of new 1,3,4-thiadiazoline derived from 3-methyl-2,6-diphenyltetrahydropyran-4-one, via the corresponding thiosemicarbazone, is described. The synthesis, spectral characterization and crystal structure of 5-spiro-1,3,4-thiadiazoline of 2,6-diphenyl-3-methylpyran is reported. Spectral techniques employed include 1H NMR, 13C NMR, HOMOCOSY, HSQC, HMBC, NOESY correlation techniques, mass and IR. The conformation of the compound is established on the basis of 1H NMR spectral data, MOPAC calculation and the single crystal X-ray analysis.