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

The asymmetric unit of the title compound, 2C(20)H(22)N(3)O(3) (+)·SO(4) (2−)·H(2)O, 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....

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Detalles Bibliográficos
Autores principales: Gainsford, Graeme J., Ashraf, Mohamed, Kay, Andrew J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588437/
https://www.ncbi.nlm.nih.gov/pubmed/23476537
http://dx.doi.org/10.1107/S1600536813003188
Descripción
Sumario:The asymmetric unit of the title compound, 2C(20)H(22)N(3)O(3) (+)·SO(4) (2−)·H(2)O, 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).