Crystal structure of trans-di-aqua-bis-(nicotinamide-?N (1))bis-(4-nitro-benzoato-?O)manganese(II).

ABSTRACT: The asymmetric unit of the title compound, [Mn(C7H4NO4)2(C6H6N2O)2(H2O)2], contains one Mn(II) atom, one 4-nitro-benzoate (NB) anion, one nicotinamide (NA) ligand and one water mol-ecule; 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 octa-hedral geometry. The water mol-ecules are hydrogen bonded to the carboxyl-ate O atoms. The dihedral angle between the carboxyl-ate 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 mol-ecules, forming a layer parallel to the ab plane. The layers are further linked via weak C-H?O hydrogen bonds, a ?-? stacking inter-action [centroid-centroid distance = 3.868?(2)?Å] and a weak C-H?? inter-action, resulting in a three-dimensional network.

SUBMITTER: Ask?n GS 

PROVIDER: S-EPMC4908509 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature