CRYSTAL AND MOLECULAR-STRUCTURE OF 2-ETHYLTHIO-3-PHENYL-1,3,4-THIADIAZOLIUM TETRAFLUOROBORATE

Citation
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
Citations number
8
Categorie Soggetti
Chemistry
ISSN journal
00092673
Volume
66
Issue
11
Year of publication
1993
Pages
3525 - 3527
Database
ISI
SICI code
0009-2673(1993)66:11<3525:CAMO2>2.0.ZU;2-U
Abstract
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.