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2,6-Dichloro-9-thiabicyclo-[3.3.1]-3,7-nonadien, C 8 H 8 Cl 2 S crystallizes in the orthorhombic space group  Cmcm  with cell dimensions  a  = 13.24 ± 0.01,  b  = 9.32 ± 0.01,  c  = 7,34 ± 0.01 Å and four molecules in the unit cell. The structure was solved by the interpretation of its three-dimensional Patterson function, and refined by least squares to a final value of  R  = 0.116 for 460 observed reflections. The crystal structure consists of statistically distributed enantiomers of C 8 H 8 Cl 2 S molecules. The molecule itself can be described as a distorted adamantane structure, opened on one side. The bond lengths C–S and C–Cl are 1.80 and 1.81 Å respectively; the bond angle C–S–C is 94.2°. The average C–C bond in the molecule is 1.50 Å and the average bond angle around the carbon atoms 114.0°. Each molecule in the crystal structure is bonded to adjacent ones solely by van der Waals forces.

The crystal and molecular structure of 2,6-dichloro-9-thiabicyclo-[3.3.1 ]-3,7-nonadien, C 8 H 8 Cl 2 S*