The Crystal Structure of 1,5-Dithioniabicyclo[3.3.0]octane Bis(trifluoromethanesulfonate). The First Structural Characterization of Dithionia Dication and Strong S···O Interactions between Cations and Anions

Autor: Iwasaki, Fujiko, Toyoda, Nobuhiko, Akaishi, Ryouichi, Fujihara, Hisashi, Furukawat, Naomichi
Zdroj: Bulletin of the Chemical Society of Japan; July 1988, Vol. 61 Issue: 7 p2563-2567, 5p
Abstrakt: The crystal structure of 1,5-dithioniabicyclo[3.3.0]octane bis(trifluoromethanesulfonate) has been determined by the X-ray method to elucidate the structure of a dithionia dication. Crystal data; C6S2H122+·2CF3SO3−, Fw=446.43, orthorhombic, Pccb, a=16.775(2), b=9.893(3), c=19.592(3) Å, V=3251(1) Å3, Z=8, Dx=1.825 Mg m−3. There are two independent dications, Aand B, in the crystals, each of which has a crystallographic twofold axis. The mean S+–S+distance is 2.124 Å. The conformation of the eight-membered ring is a distorted chair–chair form. Very strong interactions were observed between S+of dications and O atoms of counter anions. The average distance of S+···O is 2.724 Å and colinear arrangements of O···S–S···O are formed with the central twofold axis. Other weak S···O interactions (2.903–3.153 Å) were also observed between dications and anions. The coordination around S is a roughly distorted octahedron with two C and two O atoms in a plane and apical S and O atoms.
Databáze: Supplemental Index