Abstract
In the title compound, [Mn(C5H9N2O7P2)2(H2O)2], the MnII atom (site symmetry ) is coordinated by four phosphonate O atoms from a pair of partially deprotonated 1-hydroxy-2-(imidazol-3-yl)ethane-1,1-bisphophonic acid ligands (imhedpH3 −) and two water molecules, resulting in a slightly distorted trans-MnO6 octahedral geometry for the metal ion. In the ligands, the imidazole units are protonated and two of the hydroxy O atoms of the phosphonate groups are deprotonated and chelate the MnII, thus forming the neutral molecule of the title compound. The two protonated O atoms within the phosphonate groups of one imhedpH3 − ligand act as hydrogen-bond acceptors for a bifurcated hydrogen bond originating from the coordinated water molecule. The phosphonate units of neigboring molecules are connected with their equivalents in neighboring molecules via two types of inversion-symmetric hydrogen-bonding arrangements with four and two strong O—H⋯O hydrogen bonds, respectively. The two interactions connect molecules into infinite chains along [111] and [110], in combination forming a tightly hydrogen-bonded three-dimensional supramolecular network. This network is further stabilized by additional hydrogen bonds between the protonated imidazole units and one of the coordinated P—O O atoms and by additional O—H⋯O hydrogen bonds between the water molecules and the P=O O atoms of neigboring molecules.
Highlights
Jiangsu Key Laboratory for the Chemistry of Low-dimensional Materials, Department of Chemistry, Huaiyin Teachers College, 111 West Changjiang Road, Huaian
The two protonated O atoms within the phosphonate groups of one imhedpH3 ligand act as hydrogen-bond acceptors for a bifurcated hydrogen bond originating from the coordinated water molecule
The phosphonate units of neigboring molecules are connected with their equivalents in neighboring molecules via two types of inversion-symmetric hydrogen-bonding arrangements with four and two strong O—H O hydrogen bonds, respectively
Summary
In the title compound, [Mn(C5H9N2O7P2)2(H2O)2], the MnII atom (site symmetry 1) is coordinated by four phosphonate. The imidazole units are protonated and two of the hydroxy O atoms of the phosphonate groups are deprotonated and chelate the MnII, forming the neutral molecule of the title compound. The two protonated O atoms within the phosphonate groups of one imhedpH3 ligand act as hydrogen-bond acceptors for a bifurcated hydrogen bond originating from the coordinated water molecule. The two interactions connect molecules into infinite chains along [111] and [110], in combination forming a tightly hydrogen-bonded three-dimensional supramolecular network. This network is further stabilized by additional hydrogen bonds between the protonated imidazole units and one of the coordinated P—O O atoms and by additional O—.
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