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.

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概要

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• 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; C<SUB>6</SUB>S<SUB>2</SUB>H<SUB>12</SUB><SUP>2+</SUP>·2CF<SUB>3</SUB>SO<SUB>3</SUB><SUP>−</SUP>, <I>F</I><SUB>w</SUB>=446.43, orthorhombic, Pccb, <I>a</I>=16.775(2), <I>b</I>=9.893(3), <I>c</I>=19.592(3) Å, <I>V</I>=3251(1) Å<SUP>3</SUP>, <I>Z</I>=8, <I>D</I><SUB>x</SUB>=1.825 Mg m<SUP>−3</SUP>. There are two independent dications, <B>A</B> and <B>B</B>, in the crystals, each of which has a crystallographic twofold axis. The mean S<SUP>+</SUP>–S<SUP>+</SUP> 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<SUP>+</SUP> of dications and O atoms of counter anions. The average distance of S<SUP>+</SUP>···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.

• 公益社団法人 日本化学会の論文

著者

• Iwasaki Fujiko

  Department Of Applied Physics And Chemistry The University Of Electro-communications

• Fujihara Hisashi

  Department Of Applied Chemistry Kinki University

• Iwasaki Fujiko

  Department of Applied Physics and Chemistry, University of Electro-Communications

• Toyoda Nobuhiko

  Department of Applied Physics and Chemistry, University of Electro-Communications

• Akaishi Ryouichi

  Department of Chemistry, The University of Tsukuba

• Furukawat Naomichi

  Department of Chemistry, The University of Tsukuba

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