Cargando…

Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate

The dinuclear mol­ecule of the title compound, [Cd(2)(C(6)H(4)NO(2))(4)(C(2)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, lies on an inversion centre and forms 12-membered (CdNC(3)O)(2) metallacycles with the two Cd(2+) ions bridged by two nicotinate ligands. Both Cd(2+) ions display coordination polyhedra with a...

Descripción completa

Detalles Bibliográficos
Autores principales: Moncol, Jan, Mikloš, Dušan, Segla, Peter, Koman, Marian
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961096/
https://www.ncbi.nlm.nih.gov/pubmed/21202208
http://dx.doi.org/10.1107/S1600536808009756
_version_ 1782188900423303168
author Moncol, Jan
Mikloš, Dušan
Segla, Peter
Koman, Marian
author_facet Moncol, Jan
Mikloš, Dušan
Segla, Peter
Koman, Marian
author_sort Moncol, Jan
collection PubMed
description The dinuclear mol­ecule of the title compound, [Cd(2)(C(6)H(4)NO(2))(4)(C(2)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, lies on an inversion centre and forms 12-membered (CdNC(3)O)(2) metallacycles with the two Cd(2+) ions bridged by two nicotinate ligands. Both Cd(2+) ions display coordination polyhedra with a distorted octa­hedral geometry that includes two pyridine N atoms from bridging and terminal nicotinate anions, two amine N atoms from chelating ethylene­diamine ligands, carboxylate O atoms from bridging nicotinate anions and water O atoms. Inter­molecular O—H⋯O and N—H⋯O hydrogen bonds result in the formation of a three-dimensional network, and π–π stacking inter­actions are observed between symmetry-related pyridine rings of bridging as well as terminal nicotinate anions (the centroid–centroid distances are 3.59 and 3.69 Å, respectively, and the distances between parallel planes of the stacked pyridine rings are 3.53 and 3.43 Å, respectively). The two methylene groups of the ethylene­diamine ligand are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2.
format Text
id pubmed-2961096
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29610962010-12-30 Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate Moncol, Jan Mikloš, Dušan Segla, Peter Koman, Marian Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The dinuclear mol­ecule of the title compound, [Cd(2)(C(6)H(4)NO(2))(4)(C(2)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, lies on an inversion centre and forms 12-membered (CdNC(3)O)(2) metallacycles with the two Cd(2+) ions bridged by two nicotinate ligands. Both Cd(2+) ions display coordination polyhedra with a distorted octa­hedral geometry that includes two pyridine N atoms from bridging and terminal nicotinate anions, two amine N atoms from chelating ethylene­diamine ligands, carboxylate O atoms from bridging nicotinate anions and water O atoms. Inter­molecular O—H⋯O and N—H⋯O hydrogen bonds result in the formation of a three-dimensional network, and π–π stacking inter­actions are observed between symmetry-related pyridine rings of bridging as well as terminal nicotinate anions (the centroid–centroid distances are 3.59 and 3.69 Å, respectively, and the distances between parallel planes of the stacked pyridine rings are 3.53 and 3.43 Å, respectively). The two methylene groups of the ethylene­diamine ligand are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2. International Union of Crystallography 2008-04-16 /pmc/articles/PMC2961096/ /pubmed/21202208 http://dx.doi.org/10.1107/S1600536808009756 Text en © Moncol et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Moncol, Jan
Mikloš, Dušan
Segla, Peter
Koman, Marian
Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate
title Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate
title_full Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate
title_fullStr Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate
title_full_unstemmed Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate
title_short Di-μ-nicotinato-κ(2) N:O;κ(2) O:N-bis­[aqua­(ethyl­enediamine-κ(2) N,N′)(nicotinato-κN)cadmium(II)] dihydrate
title_sort di-μ-nicotinato-κ(2) n:o;κ(2) o:n-bis­[aqua­(ethyl­enediamine-κ(2) n,n′)(nicotinato-κn)cadmium(ii)] dihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961096/
https://www.ncbi.nlm.nih.gov/pubmed/21202208
http://dx.doi.org/10.1107/S1600536808009756
work_keys_str_mv AT moncoljan dimnicotinatok2nok2onbisaquaethylenediaminek2nnnicotinatokncadmiumiidihydrate
AT miklosdusan dimnicotinatok2nok2onbisaquaethylenediaminek2nnnicotinatokncadmiumiidihydrate
AT seglapeter dimnicotinatok2nok2onbisaquaethylenediaminek2nnnicotinatokncadmiumiidihydrate
AT komanmarian dimnicotinatok2nok2onbisaquaethylenediaminek2nnnicotinatokncadmiumiidihydrate