Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II)
In the title compound, [Mn(C5H9N2O7P2)2(H2O)2], the MnII atom (site symmetry overline{1}) 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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053680905065X |
| _version_ | 1828854705030168576 |
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| author | Yu Zhang Rong-Qing Li Zai-Chao Zhang |
| author_facet | Yu Zhang Rong-Qing Li Zai-Chao Zhang |
| author_sort | Yu Zhang |
| collection | DOAJ |
| description | In the title compound, [Mn(C5H9N2O7P2)2(H2O)2], the MnII atom (site symmetry overline{1}) 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. |
| first_indexed | 2024-12-13T00:38:43Z |
| format | Article |
| id | doaj.art-83290d3d410d4f4e87853a8cbd0f2846 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:38:43Z |
| publishDate | 2009-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-83290d3d410d4f4e87853a8cbd0f28462022-12-22T00:05:09ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512m1701m170210.1107/S160053680905065XDiaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II)Yu ZhangRong-Qing LiZai-Chao ZhangIn the title compound, [Mn(C5H9N2O7P2)2(H2O)2], the MnII atom (site symmetry overline{1}) 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.http://scripts.iucr.org/cgi-bin/paper?S160053680905065X |
| spellingShingle | Yu Zhang Rong-Qing Li Zai-Chao Zhang Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II) Acta Crystallographica Section E |
| title | Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II) |
| title_full | Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II) |
| title_fullStr | Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II) |
| title_full_unstemmed | Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II) |
| title_short | Diaquabis{[1-hydroxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-diyl]bis(hydrogen phosphonato)}manganese(II) |
| title_sort | diaquabis 1 hydroxy 2 1h imidazol 3 ium 1 yl ethane 1 1 diyl bis hydrogen phosphonato manganese ii |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053680905065X |
| work_keys_str_mv | AT yuzhang diaquabis1hydroxy21himidazol3ium1ylethane11diylbishydrogenphosphonatomanganeseii AT rongqingli diaquabis1hydroxy21himidazol3ium1ylethane11diylbishydrogenphosphonatomanganeseii AT zaichaozhang diaquabis1hydroxy21himidazol3ium1ylethane11diylbishydrogenphosphonatomanganeseii |