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Dilithium 1,2,5-thia-diazo-lidine-3,4-dione 1,1-dioxide dihydrate.

ABSTRACT: The title compound, poly[?-aqua-aqua-?(6)-(1,1-dioxo-1?(6),2,5-thia-diazo-lidine-3,4-diolato)-dilithium], [Li(2)(C(2)N(2)O(4)S)(H(2)O)(2)](n) or (H(2)O)(2):Li(2)TDD, forms an infinite three-dimensional structure containing five-coordinate (Li/5) and six-coordinate (Li/6) Li(+) cations. Li/5 is coordinated by three water mol-ecules, one carbonyl O atom and one sulfuryl O atom while Li/6 is coordinated by one water mol-ecule, three carbonyl O atoms, and two sulfuryl O atoms. Each water mol-ecule bridges two Li(+) cations, while also hydrogen bonding to either one endocyclic N atom and one sulfuryl O atom or two endocyclic N atoms. While the endocyclic N atoms in the anion do not coordinate the Li(+) cations, the carbonyl and sulfuryl groups each coordinate three Li(+) cations, which gives rise to the infinite three-dimensional structure.

SUBMITTER: McOwen DW

PROVIDER: S-EPMC3435632 | biostudies-other | 2012 Sep

REPOSITORIES: biostudies-other

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Dilithium 1,2,5-thia-diazo-lidine-3,4-dione 1,1-dioxide dihydrate.

McOwen Dennis W DW Delp Samuel A SA Boyle Paul D PD Henderson Wesley A WA

Acta crystallographica. Section E, Structure reports online 20120831 Pt 9

The title compound, poly[μ-aqua-aqua-μ(6)-(1,1-dioxo-1λ(6),2,5-thia-diazo-lidine-3,4-diolato)-dilithium], [Li(2)(C(2)N(2)O(4)S)(H(2)O)(2)](n) or (H(2)O)(2):Li(2)TDD, forms an infinite three-dimensional structure containing five-coordinate (Li/5) and six-coordinate (Li/6) Li(+) cations. Li/5 is coordinated by three water mol-ecules, one carbonyl O atom and one sulfuryl O atom while Li/6 is coordinated by one water mol-ecule, three carbonyl O atoms, and two sulfuryl O atoms. Each water mol-ecule b ...[more]

PMID: 22969505

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