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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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). |
format | Online Article Text |
id | pubmed-4555407 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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