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Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2) N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate
In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromobenzoate ligand and one water molecule, completing a distorted ZnN(4)O(2) oc...
Autores principales: | , , , |
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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/PMC3009099/ https://www.ncbi.nlm.nih.gov/pubmed/21588801 http://dx.doi.org/10.1107/S160053681003864X |
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author | Zhang, Bi-Song Ye, Su-Fang Li, Yun-Xia Xu, Wei |
author_facet | Zhang, Bi-Song Ye, Su-Fang Li, Yun-Xia Xu, Wei |
author_sort | Zhang, Bi-Song |
collection | PubMed |
description | In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromobenzoate ligand and one water molecule, completing a distorted ZnN(4)O(2) octahedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean interplanar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π–π stacking interactions. The uncoordinated water molecules are partly occupied. One carboxylate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds and π–π stacking interactions link the complex cations, uncoordinated 4-bromobenzoate anions and water molecules into a three-dimensional supramolecular network. An intramolecular O—H⋯·O hydrogen bond is observed in the cation. |
format | Text |
id | pubmed-3009099 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30090992010-12-30 Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2) N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate Zhang, Bi-Song Ye, Su-Fang Li, Yun-Xia Xu, Wei Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromobenzoate ligand and one water molecule, completing a distorted ZnN(4)O(2) octahedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean interplanar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π–π stacking interactions. The uncoordinated water molecules are partly occupied. One carboxylate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds and π–π stacking interactions link the complex cations, uncoordinated 4-bromobenzoate anions and water molecules into a three-dimensional supramolecular network. An intramolecular O—H⋯·O hydrogen bond is observed in the cation. International Union of Crystallography 2010-10-02 /pmc/articles/PMC3009099/ /pubmed/21588801 http://dx.doi.org/10.1107/S160053681003864X Text en © Zhang et al. 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 Zhang, Bi-Song Ye, Su-Fang Li, Yun-Xia Xu, Wei Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2) N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate |
title | Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2)
N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate |
title_full | Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2)
N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate |
title_fullStr | Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2)
N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate |
title_full_unstemmed | Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2)
N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate |
title_short | Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ(2)
N,N′)zinc(II) 4-bromobenzoate 1.5-hydrate |
title_sort | aqua(4-bromobenzoato-κo)bis(1,10-phenanthroline-κ(2)
n,n′)zinc(ii) 4-bromobenzoate 1.5-hydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009099/ https://www.ncbi.nlm.nih.gov/pubmed/21588801 http://dx.doi.org/10.1107/S160053681003864X |
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