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The crystal structure of the pyridine analog of the selenium pharmaceutical ebselen is characterized by one-dimensional N—Se chalcogen-bonded chains where the pyridine N atom is the chalcogen-bond acceptor. Charge density… Click to show full abstract
The crystal structure of the pyridine analog of the selenium pharmaceutical ebselen is characterized by one-dimensional N—Se chalcogen-bonded chains where the pyridine N atom is the chalcogen-bond acceptor. Charge density analysis using high-resolution Mo Kα X-radiation and subsequent multipole refinement reveals a clear region of positive electrostatic potential at the antipode to the Se—N bond of the isoselenazole moiety. In the N-methylated iodide and tosylate salts, the iodide/tosylate counter-ions are strongly chalcogen bonded to the Se atom.
Journal Title: Acta Crystallographica. Section C, Structural Chemistry
Year Published: 2023
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