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Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate

During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3−)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl­ate groups in the anion a...

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Autores principales: Liu, Ping-xian, Li, Zhi-an, Chen, Dao-yong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009064/
https://www.ncbi.nlm.nih.gov/pubmed/21589077
http://dx.doi.org/10.1107/S1600536810041310
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author Liu, Ping-xian
Li, Zhi-an
Chen, Dao-yong
author_facet Liu, Ping-xian
Li, Zhi-an
Chen, Dao-yong
author_sort Liu, Ping-xian
collection PubMed
description During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3−)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl­ate groups in the anion are twisted with respect to the the central benzene ring, making dihedral angles of 13.5 (1), 14.5 (1) and 16.9 (1)°. In the crystal, the component ions are linked into a three-dimensional network by a combination of inter­molecular N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds. Further stabilization is provided by π-π stacking inter­actions with centroid–centroid distances of 3.393 (2) Å and weak C=O⋯π inter­actions [O–centroid = 3.363 (2) Å].
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spelling pubmed-30090642010-12-30 Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate Liu, Ping-xian Li, Zhi-an Chen, Dao-yong Acta Crystallogr Sect E Struct Rep Online Organic Papers During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3−)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl­ate groups in the anion are twisted with respect to the the central benzene ring, making dihedral angles of 13.5 (1), 14.5 (1) and 16.9 (1)°. In the crystal, the component ions are linked into a three-dimensional network by a combination of inter­molecular N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds. Further stabilization is provided by π-π stacking inter­actions with centroid–centroid distances of 3.393 (2) Å and weak C=O⋯π inter­actions [O–centroid = 3.363 (2) Å]. International Union of Crystallography 2010-10-23 /pmc/articles/PMC3009064/ /pubmed/21589077 http://dx.doi.org/10.1107/S1600536810041310 Text en © Liu 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 Organic Papers
Liu, Ping-xian
Li, Zhi-an
Chen, Dao-yong
Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
title Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
title_full Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
title_fullStr Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
title_full_unstemmed Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
title_short Tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
title_sort tetra­imidazolium piperazinediium bis­(benzene-1,3,5-tricarboxyl­ate) dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009064/
https://www.ncbi.nlm.nih.gov/pubmed/21589077
http://dx.doi.org/10.1107/S1600536810041310
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