Crystal structure of trans-diaquabis(nicotinamide-κN1)bis(4-nitrobenzoato-κO)manganese(II)

Abstract

The asymmetric unit of the title compound, [Mn(C7H4NO4)2(C6H6N2O)2(H2O)2], contains one MnII atom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The MnII atom, lying on an inversion centre, is coordinated by four O atoms and two pyridine N atoms in a distorted octahedral geometry. The water molecules are hydrogen bonded to the carboxylate O atoms. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.4 (3)°, while the benzene and pyridine rings are oriented at a dihedral angle of 86.63 (11)°. In the crystal, O—H...O and N—H...O hydrogen bonds link the molecules, forming a layer parallel to the ab plane. The layers are further linked via weak C—H...O hydrogen bonds, a π–π stacking interaction [centroid–centroid distance = 3.868 (2) Å] and a weak C—H...π interaction, resulting in a three-dimensional network.

Keywords

• crystal structure
• manganese(II)
• nicotinamide
• 4-nitrobenzoic acid
• transition metal complex