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

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

doi:10.1016/j.dib.2022.107924

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

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

Chemical Engineering Technology

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Article number	107924
Journal	Data in Brief
Volume	41
DOIs	https://doi.org/10.1016/j.dib.2022.107924
Publication status	Published - Apr 2022

Keywords

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

ASJC Scopus subject areas

Multidisciplinary

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10.1016/j.dib.2022.107924

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title = "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.",

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author = "Prakasam, \{Balasubramaniam Arul\} and Kumar, \{Chandran Udhaya\} and Manu Lahtinen and Anssi Peuronen and Mika Sillanp{\"a}{\"a}",

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year = "2022",

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doi = "10.1016/j.dib.2022.107924",

language = "English",

volume = "41",

journal = "Data in Brief",

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TY - JOUR

T1 - Single crystal X-ray structural dataset of 1,2,4-dithiazolium tetrafluoroborate

AU - Prakasam, Balasubramaniam Arul

AU - Kumar, Chandran Udhaya

AU - Lahtinen, Manu

AU - Peuronen, Anssi

AU - Sillanpää, Mika

PY - 2022/4

Y1 - 2022/4

N2 - 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.

AB - 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.

KW - 1,2,4-Dithiazolium

KW - Crystal structure

KW - Heterocycle

KW - Hydrogen bond

UR - https://www.scopus.com/pages/publications/85124670510

U2 - 10.1016/j.dib.2022.107924

DO - 10.1016/j.dib.2022.107924

M3 - Article

AN - SCOPUS:85124670510

SN - 2352-3409

VL - 41

JO - Data in Brief

JF - Data in Brief

M1 - 107924

ER -

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

Abstract

Keywords

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