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The sulfone, C 8 H 8 SO 2 , crystallizes in the orthorhombic space group  Pbca  with cell dimensions  a  = 10.348 ± 0.002,  b  = 13.383 ± 0.002 and  c  = 11.054 ± 0.003 Å and eight molecules in the unit cell. The structure was solved by direct methods, using the symbolic addition procedure and refined to a final  R  value of 0.081 for 815 observed and independent reflections. The average value of the interatomic distances S–O and S–C in the molecule are 1.430 and 1.790 Å respectively. Nonconjugated single bonds are equal in pairs having the values of 1.528 and 1.474 Å, while the conjugated single bond has been calculated as 1.417 Å. The mean value of the C = C double bond is 1.357 Å. The bond angles in the whole molecule are showing a pseudomirror plane of symmetry, defined by the O-S-O plane.

The crystal and molecular structure of C 8 H 8 SO 2 , a derivative of 9-thiabicyclo[4.2.1]nonane 9,9-dioxide*