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...

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Autores principales: Le Thi Hong, Hai, Nguyen Thi Ngoc, Vinh, Tran Thi, Da, Nguyen Bich, Ngan, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Research Communications
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
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author Le Thi Hong, Hai
Nguyen Thi Ngoc, Vinh
Tran Thi, Da
Nguyen Bich, Ngan
Van Meervelt, Luc
author_facet Le Thi Hong, Hai
Nguyen Thi Ngoc, Vinh
Tran Thi, Da
Nguyen Bich, Ngan
Van Meervelt, Luc
author_sort Le Thi Hong, Hai
collection PubMed
description 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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spelling pubmed-45553942015-09-22 Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate Le Thi Hong, Hai Nguyen Thi Ngoc, Vinh Tran Thi, Da Nguyen Bich, Ngan Van Meervelt, Luc Acta Crystallogr E Crystallogr Commun Research Communications 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]. International Union of Crystallography 2015-08-26 /pmc/articles/PMC4555394/ /pubmed/26396859 http://dx.doi.org/10.1107/S2056989015015662 Text en © Le Thi Hong et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Le Thi Hong, Hai
Nguyen Thi Ngoc, Vinh
Tran Thi, Da
Nguyen Bich, Ngan
Van Meervelt, Luc
Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
title Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
title_full Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
title_fullStr Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
title_full_unstemmed Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
title_short Crystal structure of hexa­aqua­nickel(II) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
title_sort crystal structure of hexa­aqua­nickel(ii) bis{2-[(5,6-di­hy­droxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)oxy]acetate} dihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555394/
https://www.ncbi.nlm.nih.gov/pubmed/26396859
http://dx.doi.org/10.1107/S2056989015015662
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