Crystal structure of catena -poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophen-yl)-1 H -1,2,4-triazol-3-yl]acetato-κ 2 O : O ']

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-08, Vol.80 (Pt 8), p.852-856
• Main Authors: Vashchenko, Oleksandr V, Khomenko, Dmytro M, Doroshchuk, Roman O, Stoica, Alexandru-Constantin, Vassilyeva, Olga Yu, Lampeka, Rostyslav D
• Format: Article
• Language: English
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989024006637

In the title complex, [U(C H N O )O (CH OH)] , the U cation has a typical penta-gonal-bipyramidal environment with the equatorial plane defined by one N and two O atoms of one doubly deprotonated 2-[5-(2-hy-droxy-phen-yl)-1 -1,2,4-triazol-3-yl]acetic acid ligand, a carboxyl-ate O atom of the symmetry-related ligand and the O atom of the methanol mol-ecule [U-N/O 2.256 (4)-2.504 (5) Å]. The axial positions are occupied by two oxide O atoms. The equatorial atoms are almost coplanar, with the largest deviation from the mean plane being 0.121 Å for one of the O atoms. The benzene and triazole rings of the tetra-dentate chelating-bridging ligand are twisted by approximately 21.6 (2)° with respect to each other. The carboxyl-ate group of the ligand bridges two uranyl cations, forming a neutral zigzag chain reinforced by a strong O-H⋯O hydrogen bond. In the crystal, adjacent chains are linked into two-dimensional sheets parallel to the plane by C/N-H⋯N/O hydrogen bonding and π-π inter-actions. Further weak C-H⋯O contacts consolidate the three-dimensional supra-molecular architecture. In the solid state, the compound shows a broad medium intensity LMCT transition centred around 463 nm, which is responsible for its red colour.