Synthesis, structural studies and Hirshfeld surface analysis of 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ2O,O′)thorate(IV)
Shalini Rangarajan , Sonu Sheokand , Victoria L. Blair , Glen B. Deacon , Maravanji S. Balakrishna
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引用次数: 0
Abstract
The complex 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-O,O′)thorate was synthesized from layered solutions of Th(NO3)4·5H2O and 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridine (L).
Reaction of thorium(IV) nitrate with 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridine (L) yielded (LH)2[Th(NO3)6] or (C14H13N4)2[Th(NO3)6] (1), instead of the expected mixed-ligand complex [Th(NO3)4L2], which was detected in the mass spectrum of 1. In the structure, the [Th(NO3)6]2− anions display an icosahedral coordination geometry and are connected by LH+ cations through C—H⋯O hydrogen bonds. The LH+ cations interact via N—H⋯N hydrogen bonds. Hirshfeld surface analysis indicates that the most important interactions are O⋯H/H⋯O hydrogen-bonding interactions, which represent a 55.2% contribution.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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