The crystal lattice of the three isostructural compounds 1-3, (C 6H8N2H)2[M(C3H 2O4)2(H2O)2] ·4H2O (C6H8N2H = protonated 2-amino-4-picoline, M = Ni/Co/Mn, C3H4O4 = malonate dianion; hereafter, malonate) is formed by supramolecular 2D layers. Hydrogen-bonding, π⋯π and lone pair⋯π interactions play crucial role in organizing monomeric [MII(mal)2(H 2O)2] units into 2D sheets along the ab plane, through the self-association between two different supramolecular building blocks, namely a tetrameric water cluster including metal-coordinated water molecules, and R22(8) and R22(7) hydrogen-bonded recognition synthons between 2-amino-4-picolinium and malonate. DFT calculations clearly show that the robust 2-amino-4-picolinium/malonate hydrogen-bonded motif drives the self-assembly of the supramolecular network observed.
All Science Journal Classification (ASJC) codes
- Inorganic Chemistry