Crystal Structure of Bithionol, C12H6Cl4O2S

摘要

The crystal structure of Bithionol, C12H6Cl4O2S, has been determined from X-ray intensity data measured by Enraf-Nonius CAD-4 diffractometer using graphite-monochromatized Mo-Kメ radiation. The crystal data as follows; triclinic space group P1, a = 8.879(2), b = 10.782(1), c = 8.511(1)∈, メ = 115.43(1), モ = 115.22(1), ャ = 74.44∑(1). レ = 9.51 cm-1, F(000) = 356, Z = 2. Final R value is 0.036 for independent 2669 observed reflections. Each six-membered benzene rings are coplanar within experimesntal errors and the dihedral angle between these planes is 81.28 ∑ (1). The S-(1) and S-C(7) distances are 1.787(2) and 1.791(3)∈, respectively.