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[μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate
The title compound, [Cu(2)(C(16)H(20)N(6)O(4))(NO(3))(2)(H(2)O)(4)]·3H(2)O, crystallizes with two dinuclear Cu(II) complex molecules, each lying on an inversion center, and six solvent water molecules per unit cell. The central 1,6-diazecine ring adopts the common chair conformation invariably fou...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960600/ https://www.ncbi.nlm.nih.gov/pubmed/21201593 http://dx.doi.org/10.1107/S1600536808023969 |
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author | Luna-Ramírez, Karen S. Bernès, Sylvain Gasque, Laura |
author_facet | Luna-Ramírez, Karen S. Bernès, Sylvain Gasque, Laura |
author_sort | Luna-Ramírez, Karen S. |
collection | PubMed |
description | The title compound, [Cu(2)(C(16)H(20)N(6)O(4))(NO(3))(2)(H(2)O)(4)]·3H(2)O, crystallizes with two dinuclear Cu(II) complex molecules, each lying on an inversion center, and six solvent water molecules per unit cell. The central 1,6-diazecine ring adopts the common chair conformation invariably found in the family of complexes bearing such ligands. The Cu(II) atoms have an octahedral geometry, with a very strong tetragonal distortion due to the Jahn–Teller effect. Axial sites are occupied by a nitrate ion and a water molecule. The Cu⋯Cu separations [7.3580 (9) and 7.3341 (9) Å] are compatible with a potential catecholase activity. Neighboring molecules in the crystal structure are connected via O—H⋯O hydrogen bonds formed by water molecules and carboxylate O atoms. N—H⋯O hydrogen bonds are also present. |
format | Text |
id | pubmed-2960600 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29606002010-12-30 [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate Luna-Ramírez, Karen S. Bernès, Sylvain Gasque, Laura Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Cu(2)(C(16)H(20)N(6)O(4))(NO(3))(2)(H(2)O)(4)]·3H(2)O, crystallizes with two dinuclear Cu(II) complex molecules, each lying on an inversion center, and six solvent water molecules per unit cell. The central 1,6-diazecine ring adopts the common chair conformation invariably found in the family of complexes bearing such ligands. The Cu(II) atoms have an octahedral geometry, with a very strong tetragonal distortion due to the Jahn–Teller effect. Axial sites are occupied by a nitrate ion and a water molecule. The Cu⋯Cu separations [7.3580 (9) and 7.3341 (9) Å] are compatible with a potential catecholase activity. Neighboring molecules in the crystal structure are connected via O—H⋯O hydrogen bonds formed by water molecules and carboxylate O atoms. N—H⋯O hydrogen bonds are also present. International Union of Crystallography 2008-08-06 /pmc/articles/PMC2960600/ /pubmed/21201593 http://dx.doi.org/10.1107/S1600536808023969 Text en © Luna-Ramírez 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 Luna-Ramírez, Karen S. Bernès, Sylvain Gasque, Laura [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
title | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
title_full | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
title_fullStr | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
title_full_unstemmed | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
title_short | [μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate |
title_sort | [μ-2,8-dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(ii)] trihydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960600/ https://www.ncbi.nlm.nih.gov/pubmed/21201593 http://dx.doi.org/10.1107/S1600536808023969 |
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