Abstract
The title compound, [Li2(C5H4NOS)2(C2H6O)]n, having two formula units in the asymmetric unit, forms infinite chains of Li2O2 rhombi along b, consisting of four independent Li and O atoms. Metal binding to 2-thiooxo-1,2-dihydropyridin-1-olate occurs in a bidentate fashion via O and S, and in a monodentate manner via the N-oxide O atom. π–π Interactions between polymeric chains are evident from centroid-to-centroid distances of pyridinethione fragments of 3.461 (6)–3.607 (6) Å. The N—O and C—S bond lengths are distinctively different from those in hitherto investigated NiII, ZnII and (H3C)2TlIII complexes of 2-thiooxo-1,2-dihydropyridin-1-olate, but correlate with those reported for 1-hydroxy- and 1-alkoxypyridine-2(1H)-thiones in the solid state.
Highlights
The title compound, [Li2(C5H4NOS)2(C2H6O)]n, having two formula units in the asymmetric unit, forms infinite chains of Li2O2 rhombi along b, consisting of four independent Li and O atoms
Metal binding to 2-thiooxo-1,2-dihydropyridin-1-olate occurs in a bidentate fashion via O and S, and in a monodentate manner via the N-oxide O atom. – Interactions between polymeric chains are evident from centroidto-centroid distances of pyridinethione fragments of 3.461 (6)–3.607 (6) A
The N—O and C—S bond lengths are distinctively different from those in hitherto investigated NiII, ZnII and (H3C)2TlIII complexes of 2-thiooxo-1,2-dihydropyridin-1-olate, but correlate with those reported for 1-hydroxy- and 1-alkoxypyridine-2(1H)-thiones in the solid state
Summary
Key indicators: single-crystal X-ray study; T = 300 K; mean (C–C) = 0.009 A; R factor = 0.045; wR factor = 0.100; data-to-parameter ratio = 14.6. The title compound, [Li2(C5H4NOS)2(C2H6O)]n, having two formula units in the asymmetric unit, forms infinite chains of Li2O2 rhombi along b, consisting of four independent Li and O atoms. Metal binding to 2-thiooxo-1,2-dihydropyridin-1-olate occurs in a bidentate fashion via O and S, and in a monodentate manner via the N-oxide O atom. The N—O and C—S bond lengths are distinctively different from those in hitherto investigated NiII, ZnII and (H3C)2TlIII complexes of 2-thiooxo-1,2-dihydropyridin-1-olate, but correlate with those reported for 1-hydroxy- and 1-alkoxypyridine-2(1H)-thiones in the solid state. Crystal data [Li2(C5H4NOS)2(C2H6O)] Mr = 312.25 Monoclinic, P21=c a = 22.492 (7) Ab = 7.047 (2) Ac = 20.881 (7) A = 119.31 (4)
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