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 editors: Prakasam, Balasubramaniam Arul; Kumar, Chandran Udhaya; Lahtinen, Manu; Peuronen, Anssi; Sillanpää, Mika

Journal or series: Data in Brief

ISSN: 2352-3409

eISSN: 2352-3409

Publication year: 2022

Volume: 41

Article number: 107924

Publisher: Elsevier BV

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1016/j.dib.2022.107924

Research data link: https://data.mendeley.com/datasets/6zw4w4kvsc/1

Publication open access: Openly available

Publication channel open access: Open 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.

Keywords: chemical bonds; hydrogen bonds; heterocyclic compounds; data

Free keywords: 1,2,4-Dithiazolium; crystal structure; hydrogen bond; heterocycle

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2022

Preliminary JUFO rating: 1

Last updated on 2022-20-09 at 14:27