A1 Journal article (refereed)
Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate (2022)

Prakasam, B. A., Kumar, C. U., Lahtinen, M., Peuronen, A., & Sillanpää, M. (2022). Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate. Data in Brief, 41, Article 107924. https://doi.org/10.1016/j.dib.2022.107924

JYU authors or editors

Publication details

All authors or editorsPrakasam, Balasubramaniam Arul; Kumar, Chandran Udhaya; Lahtinen, Manu; Peuronen, Anssi; Sillanpää, Mika

Journal or seriesData in Brief



Publication year2022


Article number107924

PublisherElsevier BV

Publication countryUnited States

Publication languageEnglish


Research data linkhttps://data.mendeley.com/datasets/6zw4w4kvsc/1

Publication open accessOpenly available

Publication channel open accessOpen Access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/79917


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 Etter's graph set. The information provided in this data contributes to the understanding of structural chemistry and hydrogen bonding interactions in dithiazole derivatives.

Keywordschemical bondshydrogen bondsheterocyclic compoundsdata

Free keywords1,2,4-Dithiazolium; crystal structure; hydrogen bond; heterocycle

Contributing organizations

Ministry reportingYes

Reporting Year2022

JUFO rating1

Last updated on 2024-03-04 at 18:26