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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).

Authors :
Rangarajan, Shalini
Sheokand, Sonu
Blair, Victoria L.
Deacon, Glen B.
Balakrishna, Maravanji S.
Source :
Acta Crystallographica Section E: Crystallographic Communications; Aug2024, Vol. 80, Following p820-825, 12p
Publication Year :
2024

Abstract

Reaction of thorium(IV) nitrate with 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)meth­yl]pyridine (L) yielded (LH)<subscript>2</subscript>[Th(NO<subscript>3</subscript>)<subscript>6</subscript>] or (C<subscript>14</subscript>H<subscript>13</subscript>N<subscript>4</subscript>)<subscript>2</subscript>[Th(NO<subscript>3</subscript>)<subscript>6</subscript>] (1), instead of the expected mixed-ligand complex [Th(NO<subscript>3</subscript>)<subscript>4</subscript>L<subscript>2</subscript>], which was detected in the mass spectrum of 1. In the structure, the [Th(NO<subscript>3</subscript>)<subscript>6</subscript>]<superscript>2− </superscript>anions display an icosa­hedral coordination geometry and are connected by LH<superscript>+</superscript> cations through C—H⋯O hydrogen bonds. The LH<superscript>+</superscript> 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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
80
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
180142487
Full Text :
https://doi.org/10.1107/S2056989024006352