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

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.© 2022 The Author(s).</p

Facile fabrication of flower like self-assembled mesoporous hierarchical microarchitectures of In(OH)3 and In2O3: In(OH)3 micro flowers with electron beam sensitive thin petals

A template and capping-reagent free facile fabrication method for mesoporous hierarchical microarchitectures of flower-like In(OH)3 particles under benign hydrothermal conditions is reported. Calcination of In(OH)3 to In2O3 with the retention of morphology is also described. Both In(OH)3 and In2O3 microstructures were analyzed with SEM, EDX, TEM and powder X-ray diffraction. The crystal sizes for In(OH)3 and In2O3 were calculated using the Scherrer equation. In In(OH)3 the thin flakes at the periphery of micro flowers were electron beam sensitive. The mechanism of self-assembly process was analyzed as well.peerReviewe

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

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.peerReviewe

Synthesis of self-assembled mesoporous 3D In2O3 hierarchical micro flowers composed of nanosheets and their electrochemical properties

This report describes the methodology for the fabrication of mesoporous In2O3 microflowers by hydrothermal and calcination procedures in which In(OH)3/In2S3 acts as an intermediate. Both In2O3 and its precursor were analyzed with scanning electron microscopy, energy dispersive X-ray spectrophotometry, transmission electron microscopy and powder X-ray diffraction. BET surface area, pore size and pore volume analyses were also carried out. Electron microscopy images clearly evidence the self-assembly of 2D nanosheets into the micro flower structure. The mechanism of self-assembly and calcination is reported. Electrochemical properties of the synthesized In2O3 micro flowers were studied.peerReviewe

Synthesis and structural studies on Ni(II) dithiocarbamates : Exploring intramolecular Ni···H-C interactions

Five new Ni(II) dithiocarbamates with NiS4, NiS2PN and NiS2PCl coordination spheres, viz. [Ni(bupmbzdtc)2] (1), [Ni(bupmbzdtc)(PPh3)(NCS)] (2), [Ni(bupmbzdtc)(PPh3)Cl] (3), [Ni(4-dpmpzdtc)(PPh3)Cl] (4) and [Ni(pbbzbudtc)(PPh3)(NCS)] (5), where bupmbzdtc = N-butyl(p-methylbenzyl)dithiocarbamato anion, 4-dpmpzdtc = 4-(diphenylmethyl)piperazinecarbodithioato anion, pbbzbudtc = N-(p-bromobenzyl)butyl-dithiocarbamato anion and PPh3 = triphenylphosphine, were synthesized and characterized by UV, IR, NMR and single crystal X-ray diffraction methods. Spectral results suggest a square planar geometry around the Ni(II) metal center for all the synthesized complexes. Single crystal X-ray structural analyses agree to these findings, but also show evidence of intramolecular C–H⋯Ni interactions in complexes 3 and 5 (2.801 and 2.872 Å respectively) in the solid state, analyzed further by computational (DFT) methods. Herein, these and other structural aspects of the homo- (1) and heteroleptic dithiocarbamate complexes (2–5) of Ni(II) are discussed.peerReviewe