%0 Journal Article
%T 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 羽每羽 Stacking and Short C每H﹞﹞﹞O Interactions
%A Muneeb Hayat Khan
%A Islam Ullah Khan
%A Muhammad Nadeem Arshad
%A H. M. Rafique
%A William T. A. Harrison
%J Crystals
%D 2011
%I MDPI AG
%R 10.3390/cryst1020069
%X 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 羽每羽 stacking and in 2 a very short intermolecular C 汐每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) ˋ, b = 34.0704 (16) ˋ, c = 8.5506 (3) ˋ, 汕 = 94.239 (3)∼, V = 2326.47 (18) ˋ 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) ˋ, b = 24.359 (3) ˋ, c = 9.1043 (10) ˋ, 汕 = 104.563 (6)∼, V = 1227.2 (2) ˋ 3, Z = 2, T = 296 K, R( F) = 0.055, wR( F 2) = 0.092.
%K L-tyrosine
%K green chemistry
%K torsion angles
%K C每H﹞﹞﹞O interactions
%U http://www.mdpi.com/2073-4352/1/2/69