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TitleBis(2-carboxy-N-{[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene] methylimino}anilinium) sulfate monohydrate
Publication TypeJournal Article
Year of Publication2013
AuthorsGainsford, G.J., Ashraf M., and Kay A.J.
JournalActa Crystallographica Section E: Structure Reports Online
Paginationo343 - o344
Date Published2013
ISSN16005368 (ISSN)
AbstractThe asymmetric unit of the title compound, 2C20H22N3O3 +· SO4 2-·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 D 2 2(n), with n = 4-6 and 15-16, and C 2 2(17) classical hydrogen-bond motifs. The crystal investigated was twinned by pseudomerohedry with a twin component ratio of 0.4745 (12):0.5255 (12). © 2013 Gainsford et al.

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