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Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)

The title compound, [CrCu(C(5)H(11)NO(2))(C(5)H(12)NO(2))(NCS)(2)(H(2)O)] or [Cr(μ-mdea)Cu(μ-Hmdea)(NCS)(2)H(2)O], (where mdeaH(2) is N-methylethanolamine, C(5)H(13)NO(2)) is formed as a neutral heterometal Cu(II)/Cr(III) complex. The mol­ecular structure of the complex is based on a binuclear {CuCr...

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Autores principales: Rusanova, Julia A., Semenaka, Valentina V., Dyakonenko, Viktoriya V., Shishkin, Oleg V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555407/
https://www.ncbi.nlm.nih.gov/pubmed/26396853
http://dx.doi.org/10.1107/S2056989015015601
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author Rusanova, Julia A.
Semenaka, Valentina V.
Dyakonenko, Viktoriya V.
Shishkin, Oleg V.
author_facet Rusanova, Julia A.
Semenaka, Valentina V.
Dyakonenko, Viktoriya V.
Shishkin, Oleg V.
author_sort Rusanova, Julia A.
collection PubMed
description The title compound, [CrCu(C(5)H(11)NO(2))(C(5)H(12)NO(2))(NCS)(2)(H(2)O)] or [Cr(μ-mdea)Cu(μ-Hmdea)(NCS)(2)H(2)O], (where mdeaH(2) is N-methylethanolamine, C(5)H(13)NO(2)) is formed as a neutral heterometal Cu(II)/Cr(III) complex. The mol­ecular structure of the complex is based on a binuclear {CuCr(μ-O)(2)} core. The coordination environment of each metal atom involves the N,O,O atoms of the tridentate ligand, one bridging O atom of the ligand and the N atom of the thio­cyanato ligands. The Cu(II) ion adopts a distorted square-pyramidal coordination while the Cr(III) ion has a distorted octa­hedral coordination geometry completed by the aqua ligand. In the crystal, the binuclear complexes are linked via two pairs of O—H⋯O hydrogen bonds to form inversion dimers, which are arranged in columns parallel to the a axis. In the μ-mdea ligand two –CH(2) groups and the methyl group were refined as disordered over two sets of sites with equal occupancies. The structure was refined as a two-component twin with a twin scale factor of 0.242 (1).
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spelling pubmed-45554072015-09-22 Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II) Rusanova, Julia A. Semenaka, Valentina V. Dyakonenko, Viktoriya V. Shishkin, Oleg V. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [CrCu(C(5)H(11)NO(2))(C(5)H(12)NO(2))(NCS)(2)(H(2)O)] or [Cr(μ-mdea)Cu(μ-Hmdea)(NCS)(2)H(2)O], (where mdeaH(2) is N-methylethanolamine, C(5)H(13)NO(2)) is formed as a neutral heterometal Cu(II)/Cr(III) complex. The mol­ecular structure of the complex is based on a binuclear {CuCr(μ-O)(2)} core. The coordination environment of each metal atom involves the N,O,O atoms of the tridentate ligand, one bridging O atom of the ligand and the N atom of the thio­cyanato ligands. The Cu(II) ion adopts a distorted square-pyramidal coordination while the Cr(III) ion has a distorted octa­hedral coordination geometry completed by the aqua ligand. In the crystal, the binuclear complexes are linked via two pairs of O—H⋯O hydrogen bonds to form inversion dimers, which are arranged in columns parallel to the a axis. In the μ-mdea ligand two –CH(2) groups and the methyl group were refined as disordered over two sets of sites with equal occupancies. The structure was refined as a two-component twin with a twin scale factor of 0.242 (1). International Union of Crystallography 2015-08-26 /pmc/articles/PMC4555407/ /pubmed/26396853 http://dx.doi.org/10.1107/S2056989015015601 Text en © Rusanova et al. 2015 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 Research Communications
Rusanova, Julia A.
Semenaka, Valentina V.
Dyakonenko, Viktoriya V.
Shishkin, Oleg V.
Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)
title Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)
title_full Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)
title_fullStr Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)
title_full_unstemmed Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)
title_short Crystal structure of aqua-1κO-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) O (1),N,O (2):O (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)
title_sort crystal structure of aqua-1κo-{μ-2-[(2-hydroxy­ethyl)methylamino]ethanolato-2:1κ(4) o (1),n,o (2):o (1)}[μ-2,2′-(methylimino)diethanolato-1:2κ(4) o,n,o′:o]dithiocyanato-1κn,2κn-chromium(iii)copper(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555407/
https://www.ncbi.nlm.nih.gov/pubmed/26396853
http://dx.doi.org/10.1107/S2056989015015601
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