Y. Matsubara et al., CRYSTAL AND MOLECULAR-STRUCTURE OF 2-ETHYLTHIO-3-PHENYL-1,3,4-THIADIAZOLIUM TETRAFLUOROBORATE, Bulletin of the Chemical Society of Japan, 66(11), 1993, pp. 3525-3527
2-Ethylthio-3-phenyl-1,3,4-thiadiazolium tetrafluoroborate (2) was syn
thesized by the reaction of 3-phenyl-1,3,4-thiadiazole-2(3H)-thione (1
) with triethyloxonium tetrafluoroborate (Meerwein's reagent) in aceto
nitrile at room temperature. A structural investigation of 2 was carri
ed out on the basis of such spectral data as H-1 NMR and C-13 NMR spec
troscopies and X-ray analysis. The crystallographic data of 1 and 2 ar
e as follows: Orthorhombic space group of P2(1)2(1)2(1), a = 10.116(2)
, b = 13.199(2), c = 6.690(2) angstrom, V = 893.3(3) angstrom3, and Z
= 4 for 1, orthorhombic space group of Pbca, a = 16.449(6), b = 15.291
(3), c = 10.833(2) angstrom, V = 2725(2) angstrom3, and Z = 8 for 2, r
espectively.