Abstract
The syntheses and crystal structures of benzenesulfonylamino-3-(4-benzenesulfonyloxy- phenyl)-propionic acid (1) and 2-(toluene-4-sulfonylamino)-3-[4-(toluene-4-sulponyloxy)-phenyl]-propionic acid (2) are described. The L-tyrosine cores of the molecules show significant conformational differences. In 1, both organic molecules show intramolecular aromatic pi-pi stacking and in 2 a very short intermolecular C-alpha-H center dot center dot center dot O interaction is seen. The structures of 1 and 2 are compared with those of related materials. Crystal data: 1(2)center dot H2O center dot MeOH [2(C(21)H(19)NO7S(2))center dot H2O center dot CH4O], M-r = 973.04, monoclinic, P2(1) (No. 4), a = 8.0078 (4) angstrom, b = 34.0704 (16) angstrom, c = 8.5506 (3) angstrom , beta = 94.239 (3)degrees, V = 2326.47 (18) angstrom(3), Z = 2, T = 296 K, R(F) = 0.062, wR(F-2) = 0.157, 2 center dot H2O (C23H25NO7S2 center dot H2O), M-r = 507.56, monoclinic, P2(1) (No. 4), a = 5.7171 (7) angstrom, b = 24.359 (3) angstrom, c = 9.1043 (10) angstrom, beta = 104.563 (6)degrees, V = 1227.2 (2)angstrom(3), Z = 2, T = 296 K, R(F) = 0.055, wR(F-2) = 0.092.