Cargando…

Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate

The title binuclear Co(III) complex, [Co(2)(C(9)H(8)BrNOS)(2)(C(18)H(16)Br(2)N(2)O(2)S(2))]·C(3)H(7)NO, with a Schiff base ligand formed in situ from cyste­amine (2-amino­ethane­thiol) and 5-bromo­salicyl­aldehyde crystallizes in the space group P2(1). It was found that during the synthesis the liga...

Descripción completa

Detalles Bibliográficos
Autores principales: Rusanova, Julia A., Kokozay, Vladimir N., Bondarenko, Olena
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658961/
https://www.ncbi.nlm.nih.gov/pubmed/31391983
http://dx.doi.org/10.1107/S2056989019007217
_version_ 1783439044729896960
author Rusanova, Julia A.
Kokozay, Vladimir N.
Bondarenko, Olena
author_facet Rusanova, Julia A.
Kokozay, Vladimir N.
Bondarenko, Olena
author_sort Rusanova, Julia A.
collection PubMed
description The title binuclear Co(III) complex, [Co(2)(C(9)H(8)BrNOS)(2)(C(18)H(16)Br(2)N(2)O(2)S(2))]·C(3)H(7)NO, with a Schiff base ligand formed in situ from cyste­amine (2-amino­ethane­thiol) and 5-bromo­salicyl­aldehyde crystallizes in the space group P2(1). It was found that during the synthesis the ligand undergoes spontaneous oxidation, forming the new ligand H(2) L′ having an S—S bond. Thus, the asymmetric unit consists of one Co(2)(L)(2)(L′) mol­ecule and one DMF solvent mol­ecule. Each Co(III) ion has a slightly distorted octa­hedral S(2)N(2)O(2) coordination geometry. In the crystal, the components are linked into a three-dimensional network by several S⋯ Br, C⋯ Br, C—H⋯Br, short S⋯C (essentially shorter than the sum of the van der Waals radii for the atoms involved) contacts as well by weak C—H⋯O hydrogen bonds. The crystal studied was refined as an inversion twin.
format Online
Article
Text
id pubmed-6658961
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-66589612019-08-07 Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate Rusanova, Julia A. Kokozay, Vladimir N. Bondarenko, Olena Acta Crystallogr E Crystallogr Commun Research Communications The title binuclear Co(III) complex, [Co(2)(C(9)H(8)BrNOS)(2)(C(18)H(16)Br(2)N(2)O(2)S(2))]·C(3)H(7)NO, with a Schiff base ligand formed in situ from cyste­amine (2-amino­ethane­thiol) and 5-bromo­salicyl­aldehyde crystallizes in the space group P2(1). It was found that during the synthesis the ligand undergoes spontaneous oxidation, forming the new ligand H(2) L′ having an S—S bond. Thus, the asymmetric unit consists of one Co(2)(L)(2)(L′) mol­ecule and one DMF solvent mol­ecule. Each Co(III) ion has a slightly distorted octa­hedral S(2)N(2)O(2) coordination geometry. In the crystal, the components are linked into a three-dimensional network by several S⋯ Br, C⋯ Br, C—H⋯Br, short S⋯C (essentially shorter than the sum of the van der Waals radii for the atoms involved) contacts as well by weak C—H⋯O hydrogen bonds. The crystal studied was refined as an inversion twin. International Union of Crystallography 2019-05-24 /pmc/articles/PMC6658961/ /pubmed/31391983 http://dx.doi.org/10.1107/S2056989019007217 Text en © Rusanova 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
Rusanova, Julia A.
Kokozay, Vladimir N.
Bondarenko, Olena
Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate
title Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate
title_full Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate
title_fullStr Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate
title_full_unstemmed Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate
title_short Crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) N,O,S){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) O,N,N′,O′}dicobalt(III) di­methyl­formamide monosolvate
title_sort crystal structure of bis(μ-{2-[(5-bromo-2-oxido­benzyl­idene)amino]­eth­yl}sulfanido-κ(3) n,o,s){2,2′-[(3,4-di­thia­hexane-1,6-di­yl)bis­(nitrilo­methanylyl­idene)]bis­(4-bromo­phenolato)-κ(4) o,n,n′,o′}dicobalt(iii) di­methyl­formamide monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658961/
https://www.ncbi.nlm.nih.gov/pubmed/31391983
http://dx.doi.org/10.1107/S2056989019007217
work_keys_str_mv AT rusanovajuliaa crystalstructureofbism25bromo2oxidobenzylideneaminoethylsulfanidok3nos2234dithiahexane16diylbisnitrilomethanylylidenebis4bromophenolatok4onnodicobaltiiidimethylformamidemonosolvate
AT kokozayvladimirn crystalstructureofbism25bromo2oxidobenzylideneaminoethylsulfanidok3nos2234dithiahexane16diylbisnitrilomethanylylidenebis4bromophenolatok4onnodicobaltiiidimethylformamidemonosolvate
AT bondarenkoolena crystalstructureofbism25bromo2oxidobenzylideneaminoethylsulfanidok3nos2234dithiahexane16diylbisnitrilomethanylylidenebis4bromophenolatok4onnodicobaltiiidimethylformamidemonosolvate