Synthesis, crystal structure and Hirshfeld surface analysis of bis[4-(2-aminoethyl)morpholine-κ2N,N′]diaquanickel(II) dichloride

Abstract

The title coordination compound, [Ni(C6H14N2O)2(H2O)2]Cl2, was synthesized by mixing 4-(2-aminoethyl)morpholine and nickel chloride in double-distilled water. The asymmetric unit comprises one half of an NiII cation (located on an inversion centre), one 4-(2-aminoethyl)morpholine ligand, one coordinated water molecule and one chloride ion outside the metal coordination sphere. The nickel ion is in a octahedral environment of the N4O2 type, coordinating four N atoms from two 4-(2-aminoethyl)morpholine ligands and two trans-located O atoms from two water molecules. The morpholine ligand was found disordered over two positions with a site occupancy ratio of 0.708 (8):0.292 (8). The crystal structure is consolidated by N—H...Cl, N—H...O, C—H...Cl and C—H...O hydrogen bonds. Hirshfeld surface analysis confirms that van der Waals interactions are prevalent in the crystal packing of the synthesized complex.

Keywords

• crystal structure
• metal-organic
• morpholine
• hydrogen bond
• ir
• hirshfeld surface