Fulltext

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

Prakasam BA 1 , Kumar CU 1 , Lahtinen M 2 , Peuronen A 3 , Sillanpää M 4

Affiliations 

  • 1 Department of Chemistry, Annamalai University, Annamalainagar, 608002, India
  • 2 Department of Chemistry, P.O.Box 35, FI-40014 University of Jyväskylä, Jyväskylä, Finland
  • 3 Group of Intelligent Materials Chemistry, Department of Chemistry, University of Turku, FI-20014 Turku, Finland
  • 4 Department of Chemical Engineering, School of Mining, Metallurgy and Chemical Engineering, University of Johannesburg, P. O. Box 17011, Doornfontein 2028, South Africa
Data Brief, 2022 Apr;41:107924.
PMID: 35242910 DOI: 10.1016/j.dib.2022.107924

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 R 2 2 ( 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.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

Similar publications