Cargando…
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....
Autores principales: | , , |
---|---|
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 |
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). |
---|