Crystal and molecular structure of 1-acetonyl-1-thionia-5-thiacyclo-octane perchlorate

Abstract

The crystal structure analysis of 1-acetonyl-1-thionia-5-thiacyclo-octane perchlorate has been carried out using three-dimensional X-ray diffraction film data measured visually. The crystals belong to the orthorhombic system, a= 13·67(3), b= 9·12(4), and c= 21·09(5)Å; the space group is Pbca and there are eight molecules of [C₉H₁₇OS₂]⁺[ClO₄]^– in the unit cell. The structure has been refined to R 0·107 on 1117 independent non-zero reflexions. There is a transannular S(1)⋯S(5) distance of 3·121(5)Å and an intramolecular S(1)⋯O distance of 2·81(1)Å; these contacts result in a distorted trigonal-bipyramidal arrangement around S(1). The eight-membered ring is in the boat–chair (BC) conformation.