Formation of a penta- or hexacoordinated Cu−(II) semicarbazone complex: Revisiting semicarbazone metal complexes

Ammonium carboxylate salts: the additivity of intermolecular interaction energies in charged organic compounds

“…1 Data on contact area and stabilization energy obtained by supramolecular cluster demarcation has been extensively employed for crystalline systems of uncharged organic molecules obtained as monocomponents, cocrystals, solvates, and polymorphs. 2,[10][11][12][13][14][15][16][17][18][19][20][21] This approach has also been applied to charged molecules, including dicationic ionic liquids, 22 semicarbazone metal complexes, 23 ammonium halide salts, 3 and mesoionic compounds, 24 to shed more light on the significance of each intermolecular interaction in the crystalline lattice formation.…”

Uncovering the origins of supramolecular similarity in a series of benzimidazole structures

“…18 As for the question raised by Bombicz et al 7 regarding the boundaries of what we can still consider similar, we proposed to classify into three distinct regions of supramolecular similarity from our various comparisons in distinct crystalline phases, ranging from high (>0.8), intermediate (0.8 > I X < 0.6), to low similarity (<0.6). [18][19][20][21] Our approach indicated that in order for a comparison between two crystal structures to be considered similar, it must have isostructural (geometric parameter), isocontact (contact area parameter), and isoenergetic (stabilization energy parameter) behavior. What is more, we believe that any similarity comparison tool must consider these three parameters from a supramolecular perspective to achieve consistent and coherent results.…”