Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

Acta Cryst. (2013). E69, o343-o344    [ doi:10.1107/S1600536813003188 ]

Bis(2-carb­oxy-N-{[1-(2-hy­droxy­eth­yl)-3,3-dimethyl­indolin-2-yl­idene]methyl­imino}­anilinium) sulfate monohydrate

G. J. Gainsford, M. Ashraf and A. J. Kay

Abstract: The asymmetric unit of the title compound, 2C20H22N3O3+·SO42-·H2O, contains four cations, two sulfate anions and two lattice water mol­ecules. One of the four cations shows a different conformation of the hy­droxy­ethyl group; the remaining three are all essentially superimposable. Two cations exhibit two-site orientational disorder [ratios = 0.524 (5):0.476 (5) and 0.616 (6):0.384 (6)] of the last two atoms of their hy­droxy­ethyl groups, and one water mol­ecule is disordered over two positions in a 0.634 (13):0.366 (13) ratio. Each imine H atom is intra­molecularly in contact with the adjacent carboxyl O atom, forming an S(6) motif, while all the carb­oxy­lic acid H atoms are hydrogen bonded to O atoms of the sulfate anions. Other notable hydrogen-bond inter­actions involve (methyl­ene, phenyl and imine chain) C-H...O (sulfate and carbox­yl) and O-H...O(water) contacts, making up a comprehensive three-dimensional network involving D22(n), with n = 4-6 and 15-16, and C22(17) classical hydrogen-bond motifs. The crystal investigated was twinned by pseudomerohedry with a twin component ratio of 0.4745 (12):0.5255 (12).

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