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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...

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Detalles Bibliográficos
Autores principales: Ben Mleh, Cherifa, Roisnel, Thierry, Marouani, Houda
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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