Abstract

<h2>Acta Crystallographica Section C</h2><h3>Crystal Structure Communications</h3><h3>0108-2701</h3> <h2>research papers (organic compounds)</h2> Volume 39 Part 1 Pages 108-109 January 1983 <h2>3,4,5,6-Tetrahydro-2 H -1-benzothiocin 1,1-dioxide, C 11 H 14 O 2 S</h2> L. Andersen Acta Cryst. (1983). C39, 108-109 3,4,5,6-Tetrahydro-2H- l-benzothiocin l,l-Dioxide, CllH14028 BY LEIF ANDERSEN Department of Inorganic Chemistry, Chalmers University of Technology and University of G&eborg, S-41296 G&eborg, Sweden (Received 5 April 1982; accepted 1 October 1982) Abstract. Mr=210.3, monoclinic, P2 Jn, a= 7.527(3), b=9.928(3), c= 13.863 (6) A, r= 98.80 (3)°, V= 1023.8 (7) ./ka, Z = 4, Dx = 1.364 (1) Mg m-a, /l(Mo Ka) = 0.28 mm-~, ,;t(Mo Ka) = 0.71069 A, T= 293 K, R = 0.046 for 1176 diffractometer data. The dihedral angle between the benzo plane and the C-S-C plane in the thiocin ring is 71.4 (2)°. lntroduetlon. The main reason for the study was to investigate the influence of the dihedral angle between the phenyl plane and the C-S-C plane on the cathodic cleavage of the eight-membered ring and to make a comparison with corresponding sulfones. Experimental. The compound was prepared and crystallized by Lamm & AureU (1982). It was obtained by oxidation of the corresponding sulfide with peracetic acid. The sulfide