Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate

Abstract

Herein, we present the crystallographic dataset of 1,2,4-dithiazolium tetrafluoroborate. Single crystal X-ray structural analysis evidences that the 1,2,4-dithiazolium ring is almost planar. The 1,2,4-dithiazolium and tetrafluoroborate ions contribute in hydrogen bonding wherein the N-H·N hydrogen bonding in 1,2,4-dithiazolium dimer forms an eight-membered pseudo ring with the R22(8) Etter's graph set. The information provided in this data contributes to the understanding of structural chemistry and hydrogen bonding interactions in dithiazole derivatives.

Keywords

• 1,2,4-Dithiazolium
• Crystal structure
• Hydrogen bond
• Heterocycle