Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate
The asymmetric unit of the title compound, [Tm2(C7H6NO2)6(H2O)4]·2H2O, contains three 4-aminobenzoate (4ABA) ligands, two coordinated water molecules, a thulium metal ion, and a water molecule of crystallization. The overall structure of the complex (4ABA-Tm) is in the form of a dimer. In the dinucl...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989022001116 |
| _version_ | 1819018289167204352 |
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| author | Kasumova Samira Ali Muhammad Ashfaq Muhammad Nawaz Tahir Elman Muhammad Movsumov Khurram Shahzad Munawar |
| author_facet | Kasumova Samira Ali Muhammad Ashfaq Muhammad Nawaz Tahir Elman Muhammad Movsumov Khurram Shahzad Munawar |
| author_sort | Kasumova Samira Ali |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, [Tm2(C7H6NO2)6(H2O)4]·2H2O, contains three 4-aminobenzoate (4ABA) ligands, two coordinated water molecules, a thulium metal ion, and a water molecule of crystallization. The overall structure of the complex (4ABA-Tm) is in the form of a dimer. In the dinuclear thulium complex, symmetry-relevant TmO8 coordination polyhedra are formed by the O atoms of two chelating 4-aminobenzoate ligands, the O atoms of two non-chelating 4-aminobenzoate ligands, and two water molecules. The Tm—O bond lengths range from 2.216 (3) to 2.471 (3) Å with the Tm...Tm separation in the dinuclear complex being 4.7863 (5) Å. The crystal structure features O—H...N, N—H...O, and O—H...O hydrogen-bonding interactions. Further stabilization of the crystal packing is due to C—H...π and off-set π–π stacking interactions. Hirshfeld surface analysis indicates that H...H contacts are the most significant contributors to the crystal packing (45.9%). In addition, a void analysis was performed to check the strength of the crystal packing. |
| first_indexed | 2024-12-21T03:17:03Z |
| format | Article |
| id | doaj.art-3c27ddc3756646fa8f646828f3b1ff13 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-21T03:17:03Z |
| publishDate | 2022-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-3c27ddc3756646fa8f646828f3b1ff132022-12-21T19:17:48ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902022-03-0178328228610.1107/S2056989022001116zn2014Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrateKasumova Samira Ali0Muhammad Ashfaq1Muhammad Nawaz Tahir2Elman Muhammad Movsumov3Khurram Shahzad Munawar4Azerbaijan State Aqrarian University, Ganja City, AzerbaijanDepartment of Physics, University of Sargodha, Sargodha, PakistanDepartment of Physics, University of Sargodha, Sargodha, PakistanAzerbaijan State Aqrarian University, Ganja City, AzerbaijanDepartment of Chemistry, University of Sargodha, Sargodha, PakistanThe asymmetric unit of the title compound, [Tm2(C7H6NO2)6(H2O)4]·2H2O, contains three 4-aminobenzoate (4ABA) ligands, two coordinated water molecules, a thulium metal ion, and a water molecule of crystallization. The overall structure of the complex (4ABA-Tm) is in the form of a dimer. In the dinuclear thulium complex, symmetry-relevant TmO8 coordination polyhedra are formed by the O atoms of two chelating 4-aminobenzoate ligands, the O atoms of two non-chelating 4-aminobenzoate ligands, and two water molecules. The Tm—O bond lengths range from 2.216 (3) to 2.471 (3) Å with the Tm...Tm separation in the dinuclear complex being 4.7863 (5) Å. The crystal structure features O—H...N, N—H...O, and O—H...O hydrogen-bonding interactions. Further stabilization of the crystal packing is due to C—H...π and off-set π–π stacking interactions. Hirshfeld surface analysis indicates that H...H contacts are the most significant contributors to the crystal packing (45.9%). In addition, a void analysis was performed to check the strength of the crystal packing.http://scripts.iucr.org/cgi-bin/paper?S2056989022001116p-aminobenzoic aciddinuclear thulium complexsingle crystalhirshfeld analysiscrystal structure |
| spellingShingle | Kasumova Samira Ali Muhammad Ashfaq Muhammad Nawaz Tahir Elman Muhammad Movsumov Khurram Shahzad Munawar Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate Acta Crystallographica Section E: Crystallographic Communications p-aminobenzoic acid dinuclear thulium complex single crystal hirshfeld analysis crystal structure |
| title | Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate |
| title_full | Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate |
| title_fullStr | Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate |
| title_full_unstemmed | Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate |
| title_short | Synthesis, crystal structure, Hirshfeld surface and void analysis of bis(μ2-4-aminobenzoato-κ2O:O′)bis[bis(4-aminobenzoato-κ2O,O′)diaquathulium(III)] dihydrate |
| title_sort | synthesis crystal structure hirshfeld surface and void analysis of bis μ2 4 aminobenzoato κ2o o bis bis 4 aminobenzoato κ2o o diaquathulium iii dihydrate |
| topic | p-aminobenzoic acid dinuclear thulium complex single crystal hirshfeld analysis crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989022001116 |
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