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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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Autores principales: Ye, Su-Fang, Zhang, Bi-Song
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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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