Crystal Structure, Hirshfeld Surface, and Antibacterial Properties of [Ni(4-AP)₄(NCS)₂] (AP = Aminopyridine)

Single crystal of [Ni(4-AP) 4 (NCS) 2 ] complex compound has been obtained using solvothermal method at 70 °C for 15 hours (yield = 41%). Crystal structure of [Ni(4-AP) 4 (NCS) 2 ] has a distorted octahedral structure with orthorhombic crystal system, Pccn space group, Z = 4, and a, b, and c values of 17.1091(5) Å, 9.6686 (3) Å, 16.1998 (5) Å. Hirshfeld Surface analysis shows that intermolecular hydrogen bonds in the complex compound comes from N–H∙∙∙∙N and N–H∙∙∙∙S. The intermolecular interactions are dominated by H---H, C---H/H---C, and H---S/S---H by 39.0%, 29.6%, and 24.7%, respectively. The relatively less contributions are N---H/H---N, S---C/C---S, and S---N/N---S at 6.3%, 0.2%, and 0.1%, respectively. The [Ni(4-AP) 4 (NCS) 2 ] complex has antibacterial activity against Escherichia coli and Staphylococcus aureus .