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Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid

The crystal structures of two erbium(III) complexes with 4-amino­benzoic acid (4-ABAH), namely bis­(μ(2)-4-amino­benzoato-κ(2) O:O′)bis­[bis(4-amino­benzoato-κ(2) O,O′)di­aqua­erbium(III)] dihydrate, [Er(2)(C(7)H(6)NO(2))(6)(H(2)O)(4)]·2H(2)O, (I), and 4-chloro-3-nitro­benzoic acid (CLNBAH), namely...

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Autores principales: Smith, Graham, Lynch, Daniel E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719813/
https://www.ncbi.nlm.nih.gov/pubmed/26870404
http://dx.doi.org/10.1107/S2056989015020319
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author Smith, Graham
Lynch, Daniel E.
author_facet Smith, Graham
Lynch, Daniel E.
author_sort Smith, Graham
collection PubMed
description The crystal structures of two erbium(III) complexes with 4-amino­benzoic acid (4-ABAH), namely bis­(μ(2)-4-amino­benzoato-κ(2) O:O′)bis­[bis(4-amino­benzoato-κ(2) O,O′)di­aqua­erbium(III)] dihydrate, [Er(2)(C(7)H(6)NO(2))(6)(H(2)O)(4)]·2H(2)O, (I), and 4-chloro-3-nitro­benzoic acid (CLNBAH), namely poly[hexa­kis­(μ(2)-4-chloro-3-nitro­benzoato-κ(2) O:O′)bis­(dimethyl sulfoxide-κO)dierbium(III)], [Er(2)(C(7)H(3)ClNO(4))(6)(C(2)H(6)OS)(2)](n), (II), have been determined. In the structure of solvatomorphic compound (I), the symmetry-related irregular ErO(8) coordination polyhedra in the discrete centrosymmetric dinuclear complex comprise two monodentate water mol­ecules and six carboxyl­ate O-atom donors, four from two bidentate carboxyl­ate O,O′-chelate groups and two from the bis-monodentate O:O′-bridging group of the third 4-ABA anion. The Er—O bond-length range is 2.232 (3)–2.478 (3) Å and the Er⋯Er separation in the dinuclear complex unit is 4.7527 (4) Å. One of the coordinating water mol­ecules is involved in an intra-unit O—H⋯O hydrogen-bonding association with an inversion-related carboxyl­ate O-atom acceptor. In contrast, the anhydrous compound (II) is polymeric, based on centrosymmetric dinuclear repeat units comprising ErO(7) coordination polyhedra which involve four O-atom donors from two bidentate O:O′-bridging carboxyl­ate groups, one O-atom donor from the monodentate dimethyl sulfoxide ligand and two O-atom donors from the third bridging CLNBA anion. The latter provides the inter-unit link in the one-dimensional coordination polymer extending along [100]. The Er—O bond-length range in (II) is 2.239 (6)–2.348 (6) Å and the Er⋯Er separation within the dinuclear unit is 4.4620 (6) Å. In the crystal of (I), extensive inter-dimer O—H⋯O and N—H⋯O hydrogen-bonding inter­actions involving both the coordinating water mol­ecules and the solvent water mol­ecules, as well as the amine groups of the 4-ABA anions, give an overall three-dimensional network structure. Within this structure are also weak π–π ring inter­actions between two of the coordinating ligands [ring-centroid separations = 3.676 (3) and 3.711 (2) Å]. With (II), only weak intra-polymer C—H⋯O, C—H⋯Cl and C—H⋯S inter­actions are present.
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spelling pubmed-47198132016-02-11 Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid Smith, Graham Lynch, Daniel E. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of two erbium(III) complexes with 4-amino­benzoic acid (4-ABAH), namely bis­(μ(2)-4-amino­benzoato-κ(2) O:O′)bis­[bis(4-amino­benzoato-κ(2) O,O′)di­aqua­erbium(III)] dihydrate, [Er(2)(C(7)H(6)NO(2))(6)(H(2)O)(4)]·2H(2)O, (I), and 4-chloro-3-nitro­benzoic acid (CLNBAH), namely poly[hexa­kis­(μ(2)-4-chloro-3-nitro­benzoato-κ(2) O:O′)bis­(dimethyl sulfoxide-κO)dierbium(III)], [Er(2)(C(7)H(3)ClNO(4))(6)(C(2)H(6)OS)(2)](n), (II), have been determined. In the structure of solvatomorphic compound (I), the symmetry-related irregular ErO(8) coordination polyhedra in the discrete centrosymmetric dinuclear complex comprise two monodentate water mol­ecules and six carboxyl­ate O-atom donors, four from two bidentate carboxyl­ate O,O′-chelate groups and two from the bis-monodentate O:O′-bridging group of the third 4-ABA anion. The Er—O bond-length range is 2.232 (3)–2.478 (3) Å and the Er⋯Er separation in the dinuclear complex unit is 4.7527 (4) Å. One of the coordinating water mol­ecules is involved in an intra-unit O—H⋯O hydrogen-bonding association with an inversion-related carboxyl­ate O-atom acceptor. In contrast, the anhydrous compound (II) is polymeric, based on centrosymmetric dinuclear repeat units comprising ErO(7) coordination polyhedra which involve four O-atom donors from two bidentate O:O′-bridging carboxyl­ate groups, one O-atom donor from the monodentate dimethyl sulfoxide ligand and two O-atom donors from the third bridging CLNBA anion. The latter provides the inter-unit link in the one-dimensional coordination polymer extending along [100]. The Er—O bond-length range in (II) is 2.239 (6)–2.348 (6) Å and the Er⋯Er separation within the dinuclear unit is 4.4620 (6) Å. In the crystal of (I), extensive inter-dimer O—H⋯O and N—H⋯O hydrogen-bonding inter­actions involving both the coordinating water mol­ecules and the solvent water mol­ecules, as well as the amine groups of the 4-ABA anions, give an overall three-dimensional network structure. Within this structure are also weak π–π ring inter­actions between two of the coordinating ligands [ring-centroid separations = 3.676 (3) and 3.711 (2) Å]. With (II), only weak intra-polymer C—H⋯O, C—H⋯Cl and C—H⋯S inter­actions are present. International Union of Crystallography 2015-11-07 /pmc/articles/PMC4719813/ /pubmed/26870404 http://dx.doi.org/10.1107/S2056989015020319 Text en © Smith and Lynch 2015 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Smith, Graham
Lynch, Daniel E.
Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
title Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
title_full Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
title_fullStr Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
title_full_unstemmed Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
title_short Crystal structures of two erbium(III) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
title_sort crystal structures of two erbium(iii) complexes with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719813/
https://www.ncbi.nlm.nih.gov/pubmed/26870404
http://dx.doi.org/10.1107/S2056989015020319
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