The 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) Å b=11.7910(2) Å, c= 10.6735(3) Å, β=98.549(2)°, V=2577.94(9) Å3, 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>2sigma(I). The title compound, displays disordered geometry around the C1 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)°.