FT-IR, ~1H NMR, ~(13)C 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 C_(32)H_(27)NO5S belongs to the monoclinic system, space group P21/c with a = 14.4530(5) A, b = 13.9185(5) А, с = 13.5714(4) A, α = γ = 90°, β = 87.174(3)°, V= = 2726.76(16) A~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 A). The dihedral angle between the naphthalene unit and nitro-benzenesulfonic acid, 2-phenyl-ethyl and 4-phenyl-ethyl are 49.68(05)°, 82.96(06)°, and 81.94(07)° respectively. The structure is stabilized by intra- and intermolecular С—H...O hydrogen bonds.