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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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]. |
format | Text |
id | pubmed-3009064 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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