Structure of dibenzothiophen

Abstract

Crystals of dibenzothiophen are monoclinic, a= 8·67 ± 1, b= 6·00 ± 1, c= 18·70 ± 2 Å, β= 113·9°, Z= 4, space group P2₁/c. The structure was determined with Mo-K_α diffractometer data by Patterson, electron-density, and least-squares methods, the final R being 0·083 for 1176 observed reflexions. The molecule is slightly folded, the dihedral angles between the five-membered ring and the six-membered rings being 0·4 and 1·2°(σ∼ 0·2°). The bond distances and valency angles are similar to those in related molecules. The C–S bond length is 1·740(8)Å, and the C–S–C angle is 91·5(4)°.