catena-Poly[[[aquachloridomanganese(II)]-bis[μ-1,1′-(oxydi-p-phenylene)di-1H-imidazole-κ2 N 3:N 3′]] chloride dimethylformamide monosolvate monohydrate]

The title coordination polymer, {[MnCl(C18H14N4O)2(H2O)]Cl·C3H7NO·H2O}n, obtained by the solvothermal reaction of BIDPE and manganese(II) salt in H2O/DMF (DMF is dimethylformamide), is composed of a chain of [Mn2(BIDPE)2] [BIDPE is 1,1′-(oxydi-p-phenylene)di-1H-imidazole] metallocyclic rings that exhibit inversion symmetry. The coordination about the Mn(II) ions is distorted octahedral with a MnClN4O coordination set. In the crystal, the polymeric chains are linked by O—H⋯Cl hydrogen bonds, forming a two-dimensional network parallel to (100). A number of C—H⋯Cl and C—H⋯O interactions are also present.


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Comment
The design and construction of metal-organic frameworks (MOF's) from various molecular building blocks is of great interest due to their novel architectures and potential applications in, for example, photochemical areas Bauer et al., 2007), molecular magnetism (Kumagai et al., 2002;Bi et al., 2009), heterogeneous catalysis (Reddy et al., 2010;Cho et al., 2006), and molecular sorption (Maji et al., 2005;Zhang et al., 2009). We recently designed and synthesized 4,4'-bis(imidazol-1-yl) diphenyl ether (BIDPE), a V-shaped imidazole molecule which can be regarded as a semi-flexible ligand (Hu et al., 2010). To test the ability of this ligand to give new architectures and topologies its reaction with a bivalent manganese(II) salt was studied solvothermally, and resulted in the synthesize of the new title coordination polymer.
The asymmetric unit of the title compound consists of one Mn II ion, two BIDPE molecules, one coordinated Clanion and water molecule, and one lattice Clanion, one lattice water, and one DMF molecule (Fig. 1). The Mn II ion is six-coordinate with a distorted octahedral geometry. It is coordinted to four N atoms from four BIDPE ligands, one Clanion, and one O atom from a water molecule. The Mn-N bond lengths vary from 2.227 (2) to 2.272 (2) Å, which is within the range reported for octahedral manganese(II) complexes.
Further inspection shows that the coordinated and lattice water molecules and the Clanions, are linked by strong O-H···Cl hydrogen bonds (Table 1 and Fig. 3). These interactions are also available for increasing the stability of the whole crystal structure. This extension of the structure into a two-dimensional network is accomplished by O-H···Cl hydrogen bonding, involving the coordinated Cl atoms and the water molecule of crystallization. There are also a number of C-H···O and C-H···Cl interactions present in the crystal structure (Table 1).
The final mixture was placed in a Parr Teflon-lined stainless steel vessel (10 ml) under autogenous pressure and was heated at 363 K for 3 d. The clear solution obtained was volatilized over a period of a few weeks. A large quantity of colourless block-like crystals were obtained, which were washed with the mother liquor, and dried under ambient conditions (Yield: 53% based on Mn).

supplementary materials sup-2 Refinement
The water H-atoms were located from a Fourier differnce map and were refined with distance restraintes of O-H = 0.85 (2) Å, and H···H = 1.45 (2) Å with U iso (H) = 1.5U eq (O). The C-bound H-atoms were placed in geometrically idealized positions and treated as riding: C-H = 0.93 and 0.96 Å for CH and CH 3 H-atoms, respectively, with U iso (H) = k × U eq (C), where k = 1.5 for CH 3 H-atoms, and k = 1.2 for all other H-atoms. Fig. 1. The molecular structure of the title compound, showing the asymmetric unit and key symmetry-related atoms. Displacement ellipsoids are drawn at the 30% probability level. Symmetry codes: (a) x, -1 -y, 1 + z; (b) x, 1 + y, -1 + z.   Table 1 for details).