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trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis
The asymmetric unit of the title hydrated molecular salt, C(6)H(16)N(2) (2+)·2ClO(4) (−)·2H(2)O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water molecule. The extended structure consists of infinite chains of formula [(ClO(4))H(2)O](n)(n) (−) ions extend...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910334/ https://www.ncbi.nlm.nih.gov/pubmed/27375895 http://dx.doi.org/10.1107/S205698901600520X |
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author | Ben Mleh, Cherifa Roisnel, Thierry Marouani, Houda |
author_facet | Ben Mleh, Cherifa Roisnel, Thierry Marouani, Houda |
author_sort | Ben Mleh, Cherifa |
collection | PubMed |
description | The asymmetric unit of the title hydrated molecular salt, C(6)H(16)N(2) (2+)·2ClO(4) (−)·2H(2)O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water molecule. The extended structure consists of infinite chains of formula [(ClO(4))H(2)O](n)(n) (−) ions extending along the b axis linked by O(w)—H⋯O (w = water) hydrogen bonds. These chains are cross-linked by the dications via N—H⋯O(w) and weak C—H⋯O hydrogen bonds, thus forming a three-dimensional supramolecular network. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H⋯O/O⋯H and H⋯H contacts. |
format | Online Article Text |
id | pubmed-4910334 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49103342016-07-01 trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis Ben Mleh, Cherifa Roisnel, Thierry Marouani, Houda Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title hydrated molecular salt, C(6)H(16)N(2) (2+)·2ClO(4) (−)·2H(2)O, contains a half dication (completed by inversion symmetry), a perchlorate anion and a water molecule. The extended structure consists of infinite chains of formula [(ClO(4))H(2)O](n)(n) (−) ions extending along the b axis linked by O(w)—H⋯O (w = water) hydrogen bonds. These chains are cross-linked by the dications via N—H⋯O(w) and weak C—H⋯O hydrogen bonds, thus forming a three-dimensional supramolecular network. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint maps reveal that the structure is dominated by H⋯O/O⋯H and H⋯H contacts. International Union of Crystallography 2016-03-31 /pmc/articles/PMC4910334/ /pubmed/27375895 http://dx.doi.org/10.1107/S205698901600520X Text en © Ben Mleh et al. 2016 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 | Research Communications Ben Mleh, Cherifa Roisnel, Thierry Marouani, Houda trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis |
title |
trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis |
title_full |
trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis |
title_fullStr |
trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis |
title_full_unstemmed |
trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis |
title_short |
trans-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis |
title_sort | trans-2,5-dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910334/ https://www.ncbi.nlm.nih.gov/pubmed/27375895 http://dx.doi.org/10.1107/S205698901600520X |
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