M. Khan, I. Khan, M. Arshad
Jun 14, 2011
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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 π–π stacking and in 2 a very short intermolecular Cα–H···O interaction is seen. The structures of 1 and 2 are compared with those of related materials. Crystal data: 12·H2O·MeOH [2(C21H19NO7S2)·H2O·CH4O], Mr = 973.04, monoclinic, P21 (No. 4), a = 8.0078 (4) A, b = 34.0704 (16) A, c = 8.5506 (3) A, β = 94.239 (3)°, V = 2326.47 (18) A3, Z = 2, T = 296 K, R(F) = 0.062, wR(F2) = 0.157, 2·H2O (C23H25NO7S2·H2O), Mr = 507.56, monoclinic, P21 (No. 4), a = 5.7171 (7) A, b = 24.359 (3) A, c = 9.1043 (10) A, β = 104.563 (6)°, V = 1227.2 (2) A3, Z = 2, T = 296 K, R(F) = 0.055, wR(F2) = 0.092.