Synthesis, characterization, Hirshfeld surface analysis and antioxidant activity of a novel organic-inorganic hybrid material 1-methylpiperazine-1,4-diium bis(nitrate)

Abstract

A new organic-inorganic hybrid trioxonitrate was synthesized at room temperature.  The atomic arrangement shows three-dimensional network.  The crystal packing stabilized by a set of hydrogen bonds also analyzed by Hirshfeld surface.  This compound was investigated by IR spectroscopy.  Antioxidant study, in vitro, shows significant scavenging capacity of free radicals (DPPH• and ABTS•).

Synthesis and characterization of p -xylylenediaminium bis(nitrate). Effects of the coordination modes of nitrate groups on their structural and vibrational properties

“…(8) °. These bond lengths and angles are in good agreement with those observed in similar compounds [8,36].…”

Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclohexanebis(methylammonium): [3-(azaniumylmethyl)cyclohexyl]methanaminium dinitrate

“…The O-N-O angles are in the range of 118.8 (4)-121.1 (4) . These bond lengths and angles are in good agreement with those observed in similar compounds (Blerk & Kruger, 2009;Gatfaoui et al, 2017;Hakiri et al, 2018). The cyclohexane ring of the organic cation adopts a chair conformation with the methylammonium substituents in the equatorial positions and the two terminal ammonium groups in a trans conformation (Fig.…”

Synthesis, experimental and computational study of a non-centrosymmetric material 3-methylbenzylammonium trioxonitrate

“…The spectrum has two absorption bands, the first band which is the most intense, located around 274 nm, corresponds to a π→π* transition relating to the phenyl grouping of 3-methylbenzylammonium organic cation. The second band, which is very wide and not very intense, has a maximum in the vicinity of 305 nm attributable to the n→π* transition of the nitrate group [9]. Ultraviolet spectrum analysis of 3MBAN has been investigated in ethanol solvent by theoretical calculation (DFT) at the 6-311++G(d,p) level of theory and is within 200-800 nm range.…”