Structures of Benzenesulfonylamino-3-(4-benzenesulfonyloxy-phenyl)-propionic acid and 2-(toluene-4-sulfonylamino)-3-[4-(toluene-4-sulponyl-oxy)-phenyl]-propionic acid: Variations in L-tyrosine Backbone Conformation, Intramolecular Aromatic π–π Stacking and Short C–H···O Interactions
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 π–π stacking and in 2 a very short intermolecular C α–H···O interaction is seen. The structures of 1 and 2 are compared with those of related materials. Crystal data: 1 2·H 2O·MeOH [2(C 21H 19NO7S 2)·H 2O·CH 4O], M r = 973.04, monoclinic, P2 1 (No. 4), a = 8.0078 (4) ？, b = 34.0704 (16) ？, c = 8.5506 (3) ？, β = 94.239 (3)°, V = 2326.47 (18) ？ 3, Z = 2, T = 296 K, R( F) = 0.062, wR( F 2) = 0.157, 2·H 2O (C 23H 25NO7S 2·H 2O), M r = 507.56, monoclinic, P2 1 (No. 4), a = 5.7171 (7) ？, b = 24.359 (3) ？, c = 9.1043 (10) ？, β = 104.563 (6)°, V = 1227.2 (2) ？ 3, Z = 2, T = 296 K, R( F) = 0.055, wR( F 2) = 0.092.
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