New itaconate-containing uranyl complex unit and coordination modes of itaconate ions

Abstract

We performed the synthesis, FTIR spectral study, and X-ray diffraction (XRD) analysis of single crystals of [UO2(C5H4O4)(Dma)] (I), where $\mathrm{C}_{5}\mathrm{H}_{4}\mathrm{O}_4^{{2-}}$ and Dma are the itaconate ion and N,N-dimethylacetamide (C4H9NO), respectively. The crystal structure of I consists of [UO2(C5H4O4)(Dma)] layers, which have the crystal chemical formula $AQ^{21}M^1\ (A=\mathrm{UO}_2^{2+},\, Q^{21}=\mathrm{C}_5\mathrm{H}_4\mathrm{O}_4^{2-},\, M^1=\mathrm{Dma})$. The method of molecular Voronoi–Dirichlet polyhedra was employed to characterize intermolecular noncovalent interactions in the structure of I. A comparative analysis of noncovalent interactions in the structures of the title compound and the isomeric complex of uranyl citraconate with Dma was performed. An analysis of coordination modes of all itaconate-containing compounds from the CSD was performed.

Keywords

• Uranyl
• Itaconate
• Coordination mode
• X-ray diffraction analysis
• Voronoi–Dirichlet polyhedra