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Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate
The title compound, [Cu(2)(C(13)H(16)N(3)O(3))(C(12)H(6)N(2)O(2))(H(2)O)]ClO(4)·0.5H(2)O, consists of a cis-oxamide-bridged binuclear Cu(II) complex cation, a perchlorate anion and half a solvent water molecule. One Cu(II) cation is N,N′,N",O-chelated by an N-[3-(dimethylamino)propyl]-N′-(...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459334/ https://www.ncbi.nlm.nih.gov/pubmed/26090146 http://dx.doi.org/10.1107/S2056989015009391 |
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author | Zhang, Xin Li, Yan-Tuan Wu, Zhi-Yong |
author_facet | Zhang, Xin Li, Yan-Tuan Wu, Zhi-Yong |
author_sort | Zhang, Xin |
collection | PubMed |
description | The title compound, [Cu(2)(C(13)H(16)N(3)O(3))(C(12)H(6)N(2)O(2))(H(2)O)]ClO(4)·0.5H(2)O, consists of a cis-oxamide-bridged binuclear Cu(II) complex cation, a perchlorate anion and half a solvent water molecule. One Cu(II) cation is N,N′,N",O-chelated by an N-[3-(dimethylamino)propyl]-N′-(2-hydroxyphenyl)oxamide trianion in a distorted square-planar geometry, whereas the other Cu(II) cation is O,O′-chelated by the oxamide moiety of the anion and N,N′-chelated by a 1,10-phenanthroline-5,6-dione molecule, and a water molecule further coordinates the second Cu(II) cation, completing a distorted square-pyramidal coordination geometry. In the crystal, classical O—H⋯O hydrogen bonds, weak C—H⋯O hydrogen-bonding interactions and π–π stacking interactions link the complex cations, anions and solvent water molecules into a three-dimensional supramolecular architecture. In the crystal, the dimethylaminopropyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water molecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10). |
format | Online Article Text |
id | pubmed-4459334 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44593342015-06-18 Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate Zhang, Xin Li, Yan-Tuan Wu, Zhi-Yong Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Cu(2)(C(13)H(16)N(3)O(3))(C(12)H(6)N(2)O(2))(H(2)O)]ClO(4)·0.5H(2)O, consists of a cis-oxamide-bridged binuclear Cu(II) complex cation, a perchlorate anion and half a solvent water molecule. One Cu(II) cation is N,N′,N",O-chelated by an N-[3-(dimethylamino)propyl]-N′-(2-hydroxyphenyl)oxamide trianion in a distorted square-planar geometry, whereas the other Cu(II) cation is O,O′-chelated by the oxamide moiety of the anion and N,N′-chelated by a 1,10-phenanthroline-5,6-dione molecule, and a water molecule further coordinates the second Cu(II) cation, completing a distorted square-pyramidal coordination geometry. In the crystal, classical O—H⋯O hydrogen bonds, weak C—H⋯O hydrogen-bonding interactions and π–π stacking interactions link the complex cations, anions and solvent water molecules into a three-dimensional supramolecular architecture. In the crystal, the dimethylaminopropyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water molecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10). International Union of Crystallography 2015-05-23 /pmc/articles/PMC4459334/ /pubmed/26090146 http://dx.doi.org/10.1107/S2056989015009391 Text en © Zhang 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 Zhang, Xin Li, Yan-Tuan Wu, Zhi-Yong Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate |
title | Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate |
title_full | Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate |
title_fullStr | Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate |
title_full_unstemmed | Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate |
title_short | Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate |
title_sort | crystal structure of aqua{μ-n-[3-(dimethylamino)propyl]-n′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(ii) perchlorate hemihydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459334/ https://www.ncbi.nlm.nih.gov/pubmed/26090146 http://dx.doi.org/10.1107/S2056989015009391 |
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