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Crystal structure of hexaaquanickel(II) bis{2-[(5,6-dihydroxy-3-sulfonatoquinolin-1-ium-7-yl)oxy]acetate} dihydrate
The asymmetric unit of the title compound, [Ni(H(2)O)(6)](C(11)H(8)NO(8)S)(2)·2H(2)O, features a half-hexaaquanickel(II) complex cation with the Ni(II) ion on an inversion center, one deprotonated 5,6-dihydroxy-3-sulfoquinolin-7-yloxyacetic acid (QOH) molecule appearing in its zwitterionic form a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555394/ https://www.ncbi.nlm.nih.gov/pubmed/26396859 http://dx.doi.org/10.1107/S2056989015015662 |
Sumario: | The asymmetric unit of the title compound, [Ni(H(2)O)(6)](C(11)H(8)NO(8)S)(2)·2H(2)O, features a half-hexaaquanickel(II) complex cation with the Ni(II) ion on an inversion center, one deprotonated 5,6-dihydroxy-3-sulfoquinolin-7-yloxyacetic acid (QOH) molecule appearing in its zwitterionic form and one lattice water molecule. The sulfonate group is disordered over two positions with occupancy factors of 0.655 (5) and 0.345 (5). The hexaaquanickel(II) cation interacts through hydrogen bonding with eight QOH molecules and two water molecules. The six-membered rings of quinoline show π–π stacking [centroid-to-centroid distances of 3.679 (2) Å and 3.714 (2) Å]. |
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