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{[Eth-yl(pyridin-4-ylmeth-yl)carbamo-thio-yl]sulfanido-?(2) S,S'}(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)potassium.

ABSTRACT: The asymmetric unit of title salt co-crystal, [K(C9H11N2S2)(C12H24O6)], comprises a K(+) cation, an (-)S2CN(Et)py anion and a 18-crown-6 mol-ecule. Substantial delocalization of ?-electron density is evident in the di-thio-carbamate anion, as indicated by the equivalent C-S bond lengths. The K(+) cation sits within an O6S2 donor set lying 0.7506?(6)?Å out of the least-squares plane through the six O atoms (r.m.s. deviation = 0.1766?Å) of the 18-crown-6 mol-ecule with the two S atoms being on one side of this plane. Supra-molecular layers in the bc plane, sustained by C-H?O and C-H?? inter-actions, feature in the crystal packing.

SUBMITTER: Arman HD

PROVIDER: S-EPMC3884488 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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{[Eth-yl(pyridin-4-ylmeth-yl)carbamo-thio-yl]sulfanido-κ(2) S,S'}(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-κ(6) O)potassium.

Arman Hadi D HD Poplaukhin Pavel P Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20130807 Pt 9

The asymmetric unit of title salt co-crystal, [K(C9H11N2S2)(C12H24O6)], comprises a K(+) cation, an (-)S2CN(Et)py anion and a 18-crown-6 mol-ecule. Substantial delocalization of π-electron density is evident in the di-thio-carbamate anion, as indicated by the equivalent C-S bond lengths. The K(+) cation sits within an O6S2 donor set lying 0.7506 (6) Å out of the least-squares plane through the six O atoms (r.m.s. deviation = 0.1766 Å) of the 18-crown-6 mol-ecule with the two S atoms being on one ...[more]

PMID: 24426981

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