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Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts

A reaction of copper(II) carbonate and potassium 4-sulfo­benzoic acid in water acidified with hydro­chloric acid yielded two crystalline products. Tetra­aqua­bis­(4-carb­oxy­benzene­sulfonato)­copper(II) dihydrate, [Cu(O(3)SC(6)H(4)CO(2)H)(2)(H(2)O)(4)]·2H(2)O, (I), crystallizes in the triclinic spa...

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Autores principales: Squattrito, Philip J., Lambright-Mutthamsetty, Kelly J., Giolando, Patrick A., Kirschbaum, Kristin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829707/
https://www.ncbi.nlm.nih.gov/pubmed/31709112
http://dx.doi.org/10.1107/S2056989019014610
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author Squattrito, Philip J.
Lambright-Mutthamsetty, Kelly J.
Giolando, Patrick A.
Kirschbaum, Kristin
author_facet Squattrito, Philip J.
Lambright-Mutthamsetty, Kelly J.
Giolando, Patrick A.
Kirschbaum, Kristin
author_sort Squattrito, Philip J.
collection PubMed
description A reaction of copper(II) carbonate and potassium 4-sulfo­benzoic acid in water acidified with hydro­chloric acid yielded two crystalline products. Tetra­aqua­bis­(4-carb­oxy­benzene­sulfonato)­copper(II) dihydrate, [Cu(O(3)SC(6)H(4)CO(2)H)(2)(H(2)O)(4)]·2H(2)O, (I), crystallizes in the triclinic space group P [Image: see text] with the Cu(2+) ions located on centers of inversion. Each copper ion is coordinated to four water mol­ecules in a square plane with two sulfonate O atoms in the apical positions of a Jahn–Teller-distorted octa­hedron. The carboxyl­ate group is protonated and not involved in coordination to the metal ions. The complexes pack so as to create a layered structure with alternating inorganic and organic domains. The packing is reinforced by several O—H⋯O hydrogen bonds involving coordinated and non-coordinated water mol­ecules, the carb­oxy­lic acid group and the sulfonate group. Hexa­aqua­copper(II) 4-carb­oxy­benzene­sulfonate, [Cu(H(2)O)(6)](O(3)SC(6)H(4)CO(2)H)(2), (II), also crystallizes in the triclinic space group P [Image: see text] with Jahn–Teller-distorted octa­hedral copper(II) aqua complexes on the centers of inversion. As in (I), the carboxyl­ate group on the anion is protonated and the structure consists of alternating layers of inorganic cations and organic anions linked by O—H⋯O hydrogen bonds. A reaction of silver nitrate and potassium 4-sulfo­benzoic acid in water also resulted in two distinct products that have been structurally characterized. An anhydrous silver potassium 4-carb­oxy­benzene­sulfonate salt, [Ag(0.69)K(0.31)](O(3)SC(6)H(4)CO(2)H), (III), crystallizes in the monoclinic space group C2/c. There are two independent metal sites, one fully occupied by silver ions and the other showing a 62% K(+)/38% Ag(+) (fixed) ratio, refined in two slightly different positions. The coordination environments of the metal ions are composed primarily of sulfonate O atoms, with some participation by the non-protonated carboxyl­ate O atoms in the disordered site. As in the copper compounds, the cations and anions cleanly segregate into alternating layers. A hydrated mixed silver potassium 4-carb­oxy­benzene­sulfonate salt dihydrate, [Ag(0.20)K(0.80)](O(3)SC(6)H(4)CO(2)H)·2H(2)O, (IV), crystallizes in the monoclinic space group P2(1)/c with the Ag(+) and K(+) ions sharing one unique metal site coordinated by two water mol­ecules and six sulfonate O atoms. The packing in (IV) follows the dominant motif of alternating inorganic and organic layers. The protonated carboxyl­ate groups do not inter­act with the cations directly, but do participate in hydrogen bonds with the coordinated water mol­ecules. (IV) is isostructural with pure potassium 4-sulfo­benzoic acid dihydrate.
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spelling pubmed-68297072019-11-08 Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts Squattrito, Philip J. Lambright-Mutthamsetty, Kelly J. Giolando, Patrick A. Kirschbaum, Kristin Acta Crystallogr E Crystallogr Commun Research Communications A reaction of copper(II) carbonate and potassium 4-sulfo­benzoic acid in water acidified with hydro­chloric acid yielded two crystalline products. Tetra­aqua­bis­(4-carb­oxy­benzene­sulfonato)­copper(II) dihydrate, [Cu(O(3)SC(6)H(4)CO(2)H)(2)(H(2)O)(4)]·2H(2)O, (I), crystallizes in the triclinic space group P [Image: see text] with the Cu(2+) ions located on centers of inversion. Each copper ion is coordinated to four water mol­ecules in a square plane with two sulfonate O atoms in the apical positions of a Jahn–Teller-distorted octa­hedron. The carboxyl­ate group is protonated and not involved in coordination to the metal ions. The complexes pack so as to create a layered structure with alternating inorganic and organic domains. The packing is reinforced by several O—H⋯O hydrogen bonds involving coordinated and non-coordinated water mol­ecules, the carb­oxy­lic acid group and the sulfonate group. Hexa­aqua­copper(II) 4-carb­oxy­benzene­sulfonate, [Cu(H(2)O)(6)](O(3)SC(6)H(4)CO(2)H)(2), (II), also crystallizes in the triclinic space group P [Image: see text] with Jahn–Teller-distorted octa­hedral copper(II) aqua complexes on the centers of inversion. As in (I), the carboxyl­ate group on the anion is protonated and the structure consists of alternating layers of inorganic cations and organic anions linked by O—H⋯O hydrogen bonds. A reaction of silver nitrate and potassium 4-sulfo­benzoic acid in water also resulted in two distinct products that have been structurally characterized. An anhydrous silver potassium 4-carb­oxy­benzene­sulfonate salt, [Ag(0.69)K(0.31)](O(3)SC(6)H(4)CO(2)H), (III), crystallizes in the monoclinic space group C2/c. There are two independent metal sites, one fully occupied by silver ions and the other showing a 62% K(+)/38% Ag(+) (fixed) ratio, refined in two slightly different positions. The coordination environments of the metal ions are composed primarily of sulfonate O atoms, with some participation by the non-protonated carboxyl­ate O atoms in the disordered site. As in the copper compounds, the cations and anions cleanly segregate into alternating layers. A hydrated mixed silver potassium 4-carb­oxy­benzene­sulfonate salt dihydrate, [Ag(0.20)K(0.80)](O(3)SC(6)H(4)CO(2)H)·2H(2)O, (IV), crystallizes in the monoclinic space group P2(1)/c with the Ag(+) and K(+) ions sharing one unique metal site coordinated by two water mol­ecules and six sulfonate O atoms. The packing in (IV) follows the dominant motif of alternating inorganic and organic layers. The protonated carboxyl­ate groups do not inter­act with the cations directly, but do participate in hydrogen bonds with the coordinated water mol­ecules. (IV) is isostructural with pure potassium 4-sulfo­benzoic acid dihydrate. International Union of Crystallography 2019-10-31 /pmc/articles/PMC6829707/ /pubmed/31709112 http://dx.doi.org/10.1107/S2056989019014610 Text en © Squattrito et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Squattrito, Philip J.
Lambright-Mutthamsetty, Kelly J.
Giolando, Patrick A.
Kirschbaum, Kristin
Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
title Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
title_full Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
title_fullStr Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
title_full_unstemmed Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
title_short Crystal structures of two coordination isomers of copper(II) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
title_sort crystal structures of two coordination isomers of copper(ii) 4-sulfo­benzoic acid hexa­hydrate and two mixed silver/potassium 4-sulfo­benzoic acid salts
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829707/
https://www.ncbi.nlm.nih.gov/pubmed/31709112
http://dx.doi.org/10.1107/S2056989019014610
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