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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2019
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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. |
format | Online Article Text |
id | pubmed-6829707 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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