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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4719813 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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