Crystal and molecular structure of 11,12-dibromo-7,8-benzo-1,5-di(p-tolylsulphonyl)-1,5-diazacyclononan

Abstract

The crystal structure of the title compound, C25H26Br2N2O4S2 was determined by single crystal X-ray diffraction technique. The crystals are monoclinic, space group C 2/c, with a = 20.7142(2) angstroms b = 11.7910(2) angstroms, c = 10.6735(3) angstroms, ? = 98.549(2)°, V = 2577.94(9) angstroms3, Z = 4. The structure was solved by direct methods and refined by least-squares methods to a final R = 0.046 for 1866 observed reflections with I>2?(I). The title compound, displays disordered geometry around the Cl atom located almost on twofold axis. The nine-membered heterocylic ring is close to the half-chair conformation. The dihedral angle between phenyl rings is 34.2(1)°.