Received 15 September 2010
aCollege of Materials Science and Chemical Engineering, Jinhua College of Profession and Technology, Jinhua, Zhejiang 321017, People's Republic of China, and bMunicipal Key Laboratory of Inorganic Materials Chemistry, Institute for Solid State Chemistry, Ninbo University, Ningbo 315211, People's Republic of China
Correspondence e-mail: email@example.com
In the title compound, [Zn(C7H4BrO2)(C12H8N2)2(H2O)](C7H4BrO2)·1.5H2O, the ZnII atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromobenzoate ligand and one water molecule, completing a distorted ZnN4O2 octahedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean interplanar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate - stacking interactions. The uncoordinated water molecules are partly occupied. One carboxylate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O-HO and C-HO hydrogen bonds and - stacking interactions link the complex cations, uncoordinated 4-bromobenzoate anions and water molecules into a three-dimensional supramolecular network. An intramolecular O-H·O hydrogen bond is observed in the cation.
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2357 ).
The authors gratefully acknowledge financial support by the Scientific Research Fund of Ningbo University (grant No. XKL09078).
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