6533b85ffe1ef96bd12c19bf

RESEARCH PRODUCT

Über zinn-haltige heterocyclen

Hans-jürgen GuttmannMartin Dräger

subject

BromineStereochemistryChemical shiftOrganic Chemistrychemistry.chemical_elementCrystal structureCarbon-13 NMRRing (chemistry)BiochemistryInorganic ChemistryCrystallographyTrigonal bipyramidal molecular geometryMolecular geometrychemistryMaterials ChemistryPhysical and Theoretical ChemistryTin

description

Abstract A complete series of diphenyl and mixed methyl/chlorine/bromine/iodinephenyl substituted oxadithia- and trithiastannocanes has been prepared by reactions between the respective disodium dithiolates and tin dihalides. The 13C NMR chemical shifts of these compounds and the coupling constants J(119Sn13C) are dependent upon the magnetic anisotropy of the substituents and the bond angles at the tin atom. The crystal structure of 2,2-diphenyl-1,3,6-trithia-2-stannocane has been determined and refined to R = 0.039. The environment of Sn is a monocapped tetrahedron (transannular distance Sn⋯S 324.6(1) pm). This type of coordination, intermediate between a tetrahedron and a trigonal bipyramid, is discussed quantitatively and compared with a series of analogous compounds. The eight-membered ring has the boat-chair conformation.

https://doi.org/10.1016/s0022-328x(00)81913-0