[Mn(bpb)(DMAP)(NO)], an {Mn-NO} 6 nitrosyl with Z′ = 8

Abstract

The structure of the title compound octakis-{[4-(dimethylamino)-pyridine] (nitrosyl)[N,N′-(o-phenylene)bis-(pyridine-2-carboxamidato)]manganese(II)} ethanol hepta-solvate 3.5-hydrate, [Mn(C 18H 12N 4O 2)(C 7H 10N 2)(NO)] 8·7C 2H 5OH·3.5H 2O, or 8[Mn(bpb)(DMAP)(NO)]·7EtOH·3.5H 2O, is an unusual example of a structure with Z′ = 8. The tetra-dentate bpb ligand, together with the nitrosyl and dimethylaminopyridine ligands, gives rise to a distorted octahedral coordination environment for the Mn(II) ion. The average Mn-N(N=O) bond length is 1.631 (13) Å. The eight molecules in the asymmetric unit differ mainly in the rotation of the DMAP pyridine plane with respect to a reference plane of the Mn and three N atoms, one of which is the N atom of the NO group. The dihedral angles between the normals to these planes range from a minimum of 28.0 (2)° to a maximum of 64.2 (2)°. There are also some differences in O-H⋯O hydrogen bonding interactions. For example, of the sixteen C=O acceptors, there are seven different interactions with EtOH donors and two interactions with H 2O donors. The crystal studied was found to be a two-component twin, with a 179.9° rotation about the real axis [-0.535, 0.004, 1.000]. Due to the presence of a superlattice and, consequently, the large number of weak reflections, the refinement utilized rigid solvate groups and isotropic displacement parameters for all except the Mn atoms. H atoms were not located for hydrate molecules.