Abstract
In the centrosymmetric dinuclear title compound, [Mn2(C7H4BrO2)4(C6H6N2O)2(H2O)2], the MnII 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-bromobenzoate ligands and one water molecule in a distorted octahedral geometry. The dihedral angles between the carboxylate 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)°. Intermolecular 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.
Highlights
[Mn2(C7H4BrO2)4(C6H6N2O)2(H2O)2], the MnII 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 4bromobenzoate ligands and one water molecule in a distorted octahedral geometry
The dihedral angles between the carboxylate 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)
Summary
R factor = 0.049; wR factor = 0.126; data-to-parameter ratio = 18.2. [Mn2(C7H4BrO2)4(C6H6N2O)2(H2O)2], the MnII 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 4bromobenzoate ligands and one water molecule in a distorted octahedral geometry. The dihedral angles between the carboxylate 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). Intermolecular O—H O, N—H O and weak C—H O hydrogen bonds link the molecules into a three-dimensional network. – 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]
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More From: Acta Crystallographica Section E Structure Reports Online
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