Crystal and molecular structures of 1-(2-iso butylylcarbamoyl propan-2-ylamino) 3-(1-naphthyloxy)propan-2-ol hydrochloride (1) (C21H31N2O3Cl) and 1-(2-isobutyloxycarbonylo propan-2-ylamino) 3-(1-naphthyloxy)propan-2-ol hydrochloride (2) (C21H30NO4Cl)

Abstract

This paper shows the crystal structures of two newβ-adrenergic antagonists, derivatives of propranolol, which were determined with three-dimensional x-ray diffraction data. The space groups and unit-cell parameters are: compound1 (C21H31N2O3Cl) monoclinic space groupP21/c,a=20.523(4),b=6.909(2),c=15.950(2) A,β=105.03(1)°; compound2 (C21H31NO4Cl) monoclinic space groupP21/c,a=6.364(2),b=36.043(8),c=10.149(1) A,β=104.48(2)°. The structures were solved with direct methods, and refined with full-matrix least-squares techniques toR indices of 0.059 and 0.067, respectively. The-CH(OH)-CH2-NH-sections of the side chains show the conformation approximate togauche.