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

✍ Scribed by S. Umamatheswari; S. Kabilan

Publisher: Elsevier Science
Year: 2009
Tongue: English
Weight: 874 KB
Volume: 938
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2009.09.016

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✦ Synopsis

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 1 H NMR, 13 C NMR, HOMOCOSY, HSQC, HMBC, NOESY correlation techniques, mass and IR. The conformation of the compound is established on the basis of 1 H NMR spectral data, MOPAC calculation and the single crystal X-ray analysis.

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