Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4H-1,2,3-oxathiazin-3-ide 2,2-dioxide)

Autor: Alexander Y. Nazarenko
Jazyk: angličtina
Rok vydání: 2018
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 5, Pp 698-702 (2018)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989018006059
Popis: Both strontium and barium acesulfames, namely poly[aquabis(μ3-6-methyl-2,2-dioxo-1,2λ6,3-oxathiazin-4-olato)strontium(II)], [Sr(C4H4NO4S)2(H2O)]n, and the barium(II) analogue, [Ba(C4H4NO4S)2(H2O)]n, crystallize in nearly identical isotypic forms, with barium–oxygen interatomic distances being longer due to the larger ionic radius of the barium(II) ion. The coordination number of the metal ion is 9; the coordination polyhedra can be described as distorted capped square antiprisms [Johnson solid J10; Johnson (1966). Can. J. Math. 18, 169–200]. The conformation of the acesulafame ions is a distorted envelope with an out-of-plane S atom. Metal and acesulfame ions are assembled into infinitive chains along the [100] axis. These chains are connected via hydrogen bonds into a three-dimensional network.
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