Abstract
In the centrosymmetric dinuclear title compound, [Mn 2(C 7H 4BrO 2) 4(C 6H 6N 2O) 2(H 2O) 2], the Mn II atom is coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, three O atoms from two 4-bromo-benzoate ligands and one water molecule in a distorted octa-hedral geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.89 (16) and 8.4 (2)°, while the benzene rings are oriented at a dihedral angle of 6.09 (13)°. Inter-molecular O - H⋯O, N - H⋯O and weak C - H⋯O hydrogen bonds link the molecules into a three-dimensional network. π-π interactions, indicated by short centroid-centroid distances [3.845 (2) Å between the benzene rings, 3.650 (2) Å between the pyridine rings and 3.700 (3) Å between the benzene and pyridine rings] further stabilize the structure.
| Original language | English |
|---|---|
| Pages (from-to) | m1128-m1129 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 67 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Aug 2011 |
Keywords
- R factor = 0.049
- T = 294 K
- data-to-parameter ratio = 18.2
- mean σ(CC) = 0.006 Å
- single-crystal X-ray study
- wR factor = 0.126
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