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

ABSTRACT: Both strontium and barium acesulfames, namely poly[aqua-bis-(μ3-6-methyl-2,2-dioxo-1,2λ6,3-oxa-thia-zin-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 inter-atomic 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 anti-prisms [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.

SUBMITTER: Nazarenko AY 

PROVIDER: S-EPMC5947491 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature

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Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxa-thia-zin-3-ide 2,2-dioxide).

Nazarenko Alexander Y AY  

Acta crystallographica. Section E, Crystallographic communications 20180424 Pt 5

Both strontium and barium acesulfames, namely poly[aqua-bis-(μ<sub>3</sub>-6-methyl-2,2-dioxo-1,2λ<sup>6</sup>,3-oxa-thia-zin-4-olato)strontium(II)], [Sr(C<sub>4</sub>H<sub>4</sub>NO<sub>4</sub>S)<sub>2</sub>(H<sub>2</sub>O)] <sub><i>n</i></sub> , and the barium(II) analogue, [Ba(C<sub>4</sub>H<sub>4</sub>NO<sub>4</sub>S)<sub>2</sub>(H<sub>2</sub>O)] <sub><i>n</i></sub> , crystallize in nearly identical isotypic forms, with barium-oxygen inter-atomic distances being longer due to the larger ioni  ...[more]

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