Crystal structure of dicyclopentadienylaluminum complex directed by weak C–H…π interactions

Dicyclopentadienyl-(2-oxo-4-((2,6-di-isopropylphenyl)imido)pentane)-aluminum, Cp2Al(ket), crystallizes in monoclinic system in P21/c space group symmetry as a monomeric four-coordinate chelate complex with cyclopentadienyl ligands η1(σ) and η1(π) bonded to the aluminum center. Crystal structure analysis supported with the Hirshfeld surface analysis allowed to identify the most significant intermolecular interactions. They pointed out that both cyclopentadienyl ligands are engaged in C–H…π hydrogen bonds as π-acceptors. These directional intermolecular forces are crucial for the molecular arrangement in crystal and give rise to a supramolecular layer structure. The layer shows the symmetry of p2111 layer group. The presence of the intramolecular offset π-stacking between the cyclopentadienyl and chelate rings was also detected.