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Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate

The asymmetric unit of the title compound, (C(4)H(12)N(2))(0.5)[Ga(pydc)(2)]·pydcH(2)·2H(2)O, where pydcH(2) is pyridine-2,6-dicarboxylic acid, C(7)H(5)NO(4), contains one half of a centrosymmetric piperazinediium dication, one anion, one uncoord­inated pydcH(2) mol­ecule and two uncoordinated water...

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Autores principales: Rafizadeh, Masoud, Nemati, Andya, Derikvand, Zohreh
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959419/
https://www.ncbi.nlm.nih.gov/pubmed/21201039
http://dx.doi.org/10.1107/S1600536808029140
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author Rafizadeh, Masoud
Nemati, Andya
Derikvand, Zohreh
author_facet Rafizadeh, Masoud
Nemati, Andya
Derikvand, Zohreh
author_sort Rafizadeh, Masoud
collection PubMed
description The asymmetric unit of the title compound, (C(4)H(12)N(2))(0.5)[Ga(pydc)(2)]·pydcH(2)·2H(2)O, where pydcH(2) is pyridine-2,6-dicarboxylic acid, C(7)H(5)NO(4), contains one half of a centrosymmetric piperazinediium dication, one anion, one uncoord­inated pydcH(2) mol­ecule and two uncoordinated water mol­ecules, one of which is disordered over two sites in a 1:1 ratio. In the anion, the Ga(III) ion is coordinated by four O atoms [Ga—O = 1.9706 (16)–2.0494 (15) Å] and two N atoms [Ga—N = 1.9660 (18) and 1.9709 (17) Å] from two pydc ligands in a distorted octa­hedral geometry. The crystal structure exhibits inter­molecular O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds and π–π inter­actions [centroid–centroid distances of 3.5359 (13) and 3.6550 (14) Å].
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spelling pubmed-29594192010-12-30 Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate Rafizadeh, Masoud Nemati, Andya Derikvand, Zohreh Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title compound, (C(4)H(12)N(2))(0.5)[Ga(pydc)(2)]·pydcH(2)·2H(2)O, where pydcH(2) is pyridine-2,6-dicarboxylic acid, C(7)H(5)NO(4), contains one half of a centrosymmetric piperazinediium dication, one anion, one uncoord­inated pydcH(2) mol­ecule and two uncoordinated water mol­ecules, one of which is disordered over two sites in a 1:1 ratio. In the anion, the Ga(III) ion is coordinated by four O atoms [Ga—O = 1.9706 (16)–2.0494 (15) Å] and two N atoms [Ga—N = 1.9660 (18) and 1.9709 (17) Å] from two pydc ligands in a distorted octa­hedral geometry. The crystal structure exhibits inter­molecular O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds and π–π inter­actions [centroid–centroid distances of 3.5359 (13) and 3.6550 (14) Å]. International Union of Crystallography 2008-09-20 /pmc/articles/PMC2959419/ /pubmed/21201039 http://dx.doi.org/10.1107/S1600536808029140 Text en © Rafizadeh et al. 2008 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
Rafizadeh, Masoud
Nemati, Andya
Derikvand, Zohreh
Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
title Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
title_full Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
title_fullStr Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
title_full_unstemmed Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
title_short Hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) O,N,O′)gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
title_sort hemipiperazinediium bis­(pyridine-2,6-dicarboxyl­ato-κ(3) o,n,o′)gallate(iii) pyridine-2,6-dicarboxylic acid dihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959419/
https://www.ncbi.nlm.nih.gov/pubmed/21201039
http://dx.doi.org/10.1107/S1600536808029140
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