Crystal structure of trans-diaquabis(nicotinamide-kappa N-1)bis(4-nitrobenzoato-kappa O)manganese(II)


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ASKIN G. S. , Necefoglu H., Tonbul A. M. , Dilek N., HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.72, pp.656-663, 2016 (ESCI) identifier identifier identifier

Abstract

The asymmetric unit of the title compound, [Mn(C7H4NO4)(2)(C6H6N2O)(2)(H2O)(2)], contains one Mn-II atom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The Mn-II 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)degrees, while the benzene and pyridine rings are oriented at a dihedral angle of 86.63 (11)degrees. In the crystal, O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link the molecules, forming a layer parallel to the ab plane. The layers are further linked via weak C-H center dot center dot center dot O hydrogen bonds, a pi-pi stacking interaction [centroid-centroid distance = 3.868 (2) angstrom] and a weak C-H center dot center dot center dot pi interaction, resulting in a three-dimensional network.