| Autor: |
Vynohradov, Oleksandr S., Vashchenko, Oleksandr V., Khomenko, Dmytro M., Doroshchuk, Roman O., Raspertova, Ilona V., Lampeka, Rostyslav D., Stoica, Alexandru-Constantin |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; Sep2024, Vol. 80 Issue 9, Following p976-980, 9p |
| Abstrakt: |
The title compound, bis[μ-2,2′-(4H-1,2,4-triazole-3,5-diyl)diacetato]bis[diaquacopper(II)] dihydrate, [Cu2(C6H5N3O4)2(H2O)4]·2H2O, is a dinuclear octahedral CuII triazole-based complex. The central copper atoms are hexa-coordinated by two nitrogen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxylate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water molecules. Two additional solvent water molecules are linked to the title molecule by O—H⋯N and O⋯H—O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supramolecular chains running along the a-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯O/O⋯H (53.5%), H⋯H (28.1%), O⋯O (6.3%) and H⋯C/C⋯H (6.2%) interactions. The crystal studied was twinned by a twofold rotation around [100]. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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