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Tris(1,10-phenanthroline-κ(2) N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate
In the title compound, [Zn(C(12)H(8)N(2))(3)](C(7)H(4)BrO(2))(2)·6.5H(2)O, the Zn(II) atom is coordinated by six N atoms from three 1,10-phenanthroline (phen) molecules in a distorted octahedral geometry. The chelating phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations of 0.048, 0....
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983930/ https://www.ncbi.nlm.nih.gov/pubmed/21580556 http://dx.doi.org/10.1107/S1600536810010561 |
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author | Ye, Su-Fang Zhang, Bi-Song |
author_facet | Ye, Su-Fang Zhang, Bi-Song |
author_sort | Ye, Su-Fang |
collection | PubMed |
description | In the title compound, [Zn(C(12)H(8)N(2))(3)](C(7)H(4)BrO(2))(2)·6.5H(2)O, the Zn(II) atom is coordinated by six N atoms from three 1,10-phenanthroline (phen) molecules in a distorted octahedral geometry. The chelating phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations of 0.048, 0.039 and 0.061 Å). The mean interplanar distances of 3.51 (2) and 3.54 (4) Å between adjacent phen ligands indicate π–π stacking interactions, which connect the complex cations into chains along [101]. The 4-bromobenzoate anions and the uncoordinated water molecules, parts of which are not fully occupied, are linked by O—H⋯O hydrogen bonds. Two carboxylate O atoms and one Br atom in the 4-bromobenzoate anions are each disordered over two sites with occupancy factors of 0.60 and 0.40. |
format | Text |
id | pubmed-2983930 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29839302010-12-30 Tris(1,10-phenanthroline-κ(2) N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate Ye, Su-Fang Zhang, Bi-Song Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Zn(C(12)H(8)N(2))(3)](C(7)H(4)BrO(2))(2)·6.5H(2)O, the Zn(II) atom is coordinated by six N atoms from three 1,10-phenanthroline (phen) molecules in a distorted octahedral geometry. The chelating phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations of 0.048, 0.039 and 0.061 Å). The mean interplanar distances of 3.51 (2) and 3.54 (4) Å between adjacent phen ligands indicate π–π stacking interactions, which connect the complex cations into chains along [101]. The 4-bromobenzoate anions and the uncoordinated water molecules, parts of which are not fully occupied, are linked by O—H⋯O hydrogen bonds. Two carboxylate O atoms and one Br atom in the 4-bromobenzoate anions are each disordered over two sites with occupancy factors of 0.60 and 0.40. International Union of Crystallography 2010-03-31 /pmc/articles/PMC2983930/ /pubmed/21580556 http://dx.doi.org/10.1107/S1600536810010561 Text en © Ye and Zhang 2010 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 Ye, Su-Fang Zhang, Bi-Song Tris(1,10-phenanthroline-κ(2) N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate |
title | Tris(1,10-phenanthroline-κ(2)
N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate |
title_full | Tris(1,10-phenanthroline-κ(2)
N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate |
title_fullStr | Tris(1,10-phenanthroline-κ(2)
N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate |
title_full_unstemmed | Tris(1,10-phenanthroline-κ(2)
N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate |
title_short | Tris(1,10-phenanthroline-κ(2)
N,N′)zinc(II) bis(4-bromobenzoate) 6.5-hydrate |
title_sort | tris(1,10-phenanthroline-κ(2)
n,n′)zinc(ii) bis(4-bromobenzoate) 6.5-hydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983930/ https://www.ncbi.nlm.nih.gov/pubmed/21580556 http://dx.doi.org/10.1107/S1600536810010561 |
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