FT-IR, H-1 NMR, C-13 NMR and X-ray crystallographic structure determination of 4-nitro-benzenesulfonic acid 2,4-bis-(1-phenyl-ethyl)-naphthalen-1-yl ester

摘要

The title compound C32H27NO5S belongs to the monoclinic system, space group P2(1)/c with a = 14.4530(5) , b = 13.9185(5) , c = 13.5714(4) , alpha = gamma = 90A degrees, beta = 87.174(3)A degrees, V = 2726.76(16) (3), Z = 4, D (c) = 1.310 g/cm(3), F(000) = 1128, R = 0.053 and wR = 0.133, S = 1.03, T = 296 K. In the title compound, the naphthalene unit is planar (r.m.s. deviation = 0.0227 ). The dihedral angle between the naphthalene unit and nitro-benzenesulfonic acid, 2-phenyl-ethyl and 4-phenyl-ethyl are 49.68(05)A degrees, 82.96(06)A degrees, and 81.94(07)A degrees respectively. The structure is stabilized by intra- and intermolecular C-HaEuro broken vertical bar O hydrogen bonds.