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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...

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Detalles Bibliográficos
Autores principales: Zhang, Bi-Song, Ye, Su-Fang, Li, Yun-Xia, Xu, Wei
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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.
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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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