Hydrated magnesium (II) with H-bonded hexamethylenetetramine and co-ligands: synthesis, structural characterization, thermal decomposition, and hirshfeld surface analysis

The reaction of magnesium nitrate with hexamethylenetetramine (HMTA) in the presence of thiocyanide, dicyanamide (DCA), or azide ions resulted in the formation of the hydrated magnesium(II) compounds [Mg(H2O)(6)](SCN)(2)center dot 2HMTA center dot 3H(2)O (1a), [Mg(H2O)(6)](DCA)(2)center dot 3HMTA center dot H2O (1b) and [Mg(H2O)(6)](N-3)(2)center dot 2HMTA center dot 4H(2)O (1c) (DCA = dicyanamide). The compounds were characterized by elemental analysis, IR spectroscopy, thermal analysis, and single-crystal X-ray structure analysis. These coordination compounds crystallize in the Triclinic, P1, Tetragonal, P4(2)/n, and Monoclinic, P2(1)/n space groups, respectively for 1a, 1b, and 1c. The 3D crystal packing structure results from a combination of O-H/H-N interactions. Hirshfeld surface (HS) analysis of the complexes was undertaken to investigate further the intermolecular interactions. Thermal studies of 1a and 1b was undertaken to determine their suitability as precursors for MgO nanoparticles. [GRAPHICS] .