Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)manganese(II) 4-bromobenzoate dihydrate

• Main Authors: Ling-Xia Hu, Bi-Song Zhang
• Format: Article
• Language: English
• Published: International Union of Crystallography 2016-05-01
• Series: IUCrData
• Subjects: crystal structure; MnII complex; hydrogen bonds; π–π stacking
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2414314616008336

The asymmetric unit of the title compound, [Mn(C7H4BrO2)(C12H8N2)2(H2O)](C7H4BrO2)·2H2O, consists of a monovalent [Mn(C7H4BrO2)(C12H8N2)2(H2O)]+ complex cation, a 4-bromobenzoate anion and two lattice water molecules. In the complex cation, the MnII atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and two O atoms, one from a 4-bromobenzoate anion and the other from a coordinating water molecule. This completes an MnN4O2 coordination sphere with a distorted octahedral geometry. The Br atom of the bromobenzoato ligand is equally disordered over two sites. In the crystal, the complex cations are connected to each other via O—H...O, O—H...Br and C—H...O hydrogen bonds and π–π stacking interactions [closest separation = 3.492 (4) Å]. π–π contacts [closest separation = 3.771 (4) Å] also link the complex cations to both the coordinated and non-coordinating 4-bromobenzoate anions. Overall, these contacts generate a three-dimensional network structure.