Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]

The title compound, {[Zn2(CH3CO2)3(OH)(C6H7ClN2)]·C2H5OH}n, has alternating octahedrally and tetrahedrally coordinated Zn2+ ions. The octahedral coordination sphere is composed of one N atom of the monodentate diaminochlorobenzene ligand, three acetate O atoms and two bridging hydroxide ligands. The...

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Main Authors: David K. Geiger, Dylan E. Parsons
Format: Article
Language:English
Published: International Union of Crystallography 2014-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814012641
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spelling doaj-310701cc76834279a916d0f7e00283312020-11-25T01:36:39ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-07-01707m247m24810.1107/S1600536814012641gg2136Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]David K. Geiger0Dylan E. Parsons1Department of Chemistry, State University of New York-College at Geneseo, 1 College Circle, Geneseo, NY 14454, USADepartment of Chemistry, State University of New York-College at Geneseo, 1 College Circle, Geneseo, NY 14454, USAThe title compound, {[Zn2(CH3CO2)3(OH)(C6H7ClN2)]·C2H5OH}n, has alternating octahedrally and tetrahedrally coordinated Zn2+ ions. The octahedral coordination sphere is composed of one N atom of the monodentate diaminochlorobenzene ligand, three acetate O atoms and two bridging hydroxide ligands. The tetrahedral coordination sphere consists of three acetate O atoms and the hydroxide ligand. The zinc ions are bridged by acetate and hydroxide ligands. The result is a laddered-chain structure parallel to [100] with ethanol solvent molecules occupying the space between the chains. The diamine ligand chlorine substitutent is disordered over two equally populated positions as a result of a crystallographically imposed inversion center between adjacent ligands. The ethanol solvent molecule exhibits disorder with the two components having refined occupancies of 0.696 (11) and 0.304 (11). O—H...O hydrogen bonds form between the hydroxide ligand and the ethanol solvent molecule. N—H...O and N—H...N hydrogen bonding between the uncoordinated amine group and the acetate ligands and the coordinated amine group are also observed.http://scripts.iucr.org/cgi-bin/paper?S1600536814012641
collection DOAJ
language English
format Article
sources DOAJ
author David K. Geiger
Dylan E. Parsons
spellingShingle David K. Geiger
Dylan E. Parsons
Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]
Acta Crystallographica Section E
author_facet David K. Geiger
Dylan E. Parsons
author_sort David K. Geiger
title Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]
title_short Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]
title_full Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]
title_fullStr Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]
title_full_unstemmed Poly[[tris(μ2-acetato-κ2O:O′)(4-chlorobenzene-1,2-diamine-κN)(μ3-hydroxido)dizinc] ethanol monosolvate]
title_sort poly[[tris(μ2-acetato-κ2o:o′)(4-chlorobenzene-1,2-diamine-κn)(μ3-hydroxido)dizinc] ethanol monosolvate]
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-07-01
description The title compound, {[Zn2(CH3CO2)3(OH)(C6H7ClN2)]·C2H5OH}n, has alternating octahedrally and tetrahedrally coordinated Zn2+ ions. The octahedral coordination sphere is composed of one N atom of the monodentate diaminochlorobenzene ligand, three acetate O atoms and two bridging hydroxide ligands. The tetrahedral coordination sphere consists of three acetate O atoms and the hydroxide ligand. The zinc ions are bridged by acetate and hydroxide ligands. The result is a laddered-chain structure parallel to [100] with ethanol solvent molecules occupying the space between the chains. The diamine ligand chlorine substitutent is disordered over two equally populated positions as a result of a crystallographically imposed inversion center between adjacent ligands. The ethanol solvent molecule exhibits disorder with the two components having refined occupancies of 0.696 (11) and 0.304 (11). O—H...O hydrogen bonds form between the hydroxide ligand and the ethanol solvent molecule. N—H...O and N—H...N hydrogen bonding between the uncoordinated amine group and the acetate ligands and the coordinated amine group are also observed.
url http://scripts.iucr.org/cgi-bin/paper?S1600536814012641
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AT dylaneparsons polytrism2acetatok2oo4chlorobenzene12diamineknm3hydroxidodizincethanolmonosolvate
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