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Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)
The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ(2) O,O′)bis(sparfloxacin-κ(2) O,O′)manganese(II) dihydrate, [Mn(C(8)H(4)O(4))(C(19)H(22)F(2)N(4)O(3))(2)(H(2)O)(0.25)]·2H(2)O or [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O, (I), and bis(sparfloxacin-κ(2) O,O′)copper(II)...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704758/ https://www.ncbi.nlm.nih.gov/pubmed/26870595 http://dx.doi.org/10.1107/S205698901502424X |
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author | An, Zhe Gao, Jing Harrison, William T. A. |
author_facet | An, Zhe Gao, Jing Harrison, William T. A. |
author_sort | An, Zhe |
collection | PubMed |
description | The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ(2) O,O′)bis(sparfloxacin-κ(2) O,O′)manganese(II) dihydrate, [Mn(C(8)H(4)O(4))(C(19)H(22)F(2)N(4)O(3))(2)(H(2)O)(0.25)]·2H(2)O or [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O, (I), and bis(sparfloxacin-κ(2) O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C(19)H(22)F(2)N(4)O(3))(2)](C(8)H(4)O(4))·2H(2)O or [Cu(Hspar)(2)](bdc)·2H(2)O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn(2+) ion in (I) is coordinated by two O,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and an O,O′-bidentate bdc dianion to generate a distorted MnO(6) trigonal prism. A very long bond [2.580 (12) Å] from the Mn(2+) ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu(2+) ion lies on a crystallographic inversion centre and a CuO(4) square-planar geometry arises from its coordination by two O,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H⋯O hydrogen bonds, which close S(6) rings. In the crystals of both (I) and (II), the components are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, generating three-dimensional networks. |
format | Online Article Text |
id | pubmed-4704758 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47047582016-02-11 Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) An, Zhe Gao, Jing Harrison, William T. A. Acta Crystallogr E Crystallogr Commun Research Communications The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ(2) O,O′)bis(sparfloxacin-κ(2) O,O′)manganese(II) dihydrate, [Mn(C(8)H(4)O(4))(C(19)H(22)F(2)N(4)O(3))(2)(H(2)O)(0.25)]·2H(2)O or [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O, (I), and bis(sparfloxacin-κ(2) O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C(19)H(22)F(2)N(4)O(3))(2)](C(8)H(4)O(4))·2H(2)O or [Cu(Hspar)(2)](bdc)·2H(2)O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn(2+) ion in (I) is coordinated by two O,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and an O,O′-bidentate bdc dianion to generate a distorted MnO(6) trigonal prism. A very long bond [2.580 (12) Å] from the Mn(2+) ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu(2+) ion lies on a crystallographic inversion centre and a CuO(4) square-planar geometry arises from its coordination by two O,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H⋯O hydrogen bonds, which close S(6) rings. In the crystals of both (I) and (II), the components are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, generating three-dimensional networks. International Union of Crystallography 2016-01-01 /pmc/articles/PMC4704758/ /pubmed/26870595 http://dx.doi.org/10.1107/S205698901502424X Text en © An et al. 2016 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 An, Zhe Gao, Jing Harrison, William T. A. Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
title | Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
title_full | Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
title_fullStr | Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
title_full_unstemmed | Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
title_short | Crystal structures of [Mn(bdc)(Hspar)(2)(H(2)O)(0.25)]·2H(2)O containing MnO(6+1) capped trigonal prisms and [Cu(Hspar)(2)](bdc)·2H(2)O containing CuO(4) squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
title_sort | crystal structures of [mn(bdc)(hspar)(2)(h(2)o)(0.25)]·2h(2)o containing mno(6+1) capped trigonal prisms and [cu(hspar)(2)](bdc)·2h(2)o containing cuo(4) squares (hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704758/ https://www.ncbi.nlm.nih.gov/pubmed/26870595 http://dx.doi.org/10.1107/S205698901502424X |
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