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2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate
The asymmetric unit of the title salt C(8)H(22)N(4) (2+)·2C(7)H(5)O(2) (−), comprises two independent pairs of half a 2,2′-(piperazine-1,4-diyl)diethanaminium dication plus a benzoate anion. The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure wa...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414314/ https://www.ncbi.nlm.nih.gov/pubmed/22904847 http://dx.doi.org/10.1107/S1600536812030115 |
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author | Cukrowski, Ignacy Adeyinka, Adedapo S. Liles, David C. |
author_facet | Cukrowski, Ignacy Adeyinka, Adedapo S. Liles, David C. |
author_sort | Cukrowski, Ignacy |
collection | PubMed |
description | The asymmetric unit of the title salt C(8)H(22)N(4) (2+)·2C(7)H(5)O(2) (−), comprises two independent pairs of half a 2,2′-(piperazine-1,4-diyl)diethanaminium dication plus a benzoate anion. The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100 [he domain fractions are 0.8645 (8) and 0.1355 (8)]. The anions and cations are linked by N—H⋯O hydrogen bonds and weak N—H⋯O intermolecular interactions to form infinite two-dimensional networks parallel to [101]. The conformation adopted by the cation in the crystal structure is very similar to that adopted by the same cation in the structures of the 2-hydroxybenzoate [Cukrowski et al. (2012 ▶). Acta Cryst, E68, o2387], the nitrate and the tetrahydrogen pentaborate salts. |
format | Online Article Text |
id | pubmed-3414314 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34143142012-08-17 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate Cukrowski, Ignacy Adeyinka, Adedapo S. Liles, David C. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt C(8)H(22)N(4) (2+)·2C(7)H(5)O(2) (−), comprises two independent pairs of half a 2,2′-(piperazine-1,4-diyl)diethanaminium dication plus a benzoate anion. The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100 [he domain fractions are 0.8645 (8) and 0.1355 (8)]. The anions and cations are linked by N—H⋯O hydrogen bonds and weak N—H⋯O intermolecular interactions to form infinite two-dimensional networks parallel to [101]. The conformation adopted by the cation in the crystal structure is very similar to that adopted by the same cation in the structures of the 2-hydroxybenzoate [Cukrowski et al. (2012 ▶). Acta Cryst, E68, o2387], the nitrate and the tetrahydrogen pentaborate salts. International Union of Crystallography 2012-07-07 /pmc/articles/PMC3414314/ /pubmed/22904847 http://dx.doi.org/10.1107/S1600536812030115 Text en © Cukrowski et al. 2012 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 Cukrowski, Ignacy Adeyinka, Adedapo S. Liles, David C. 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate |
title | 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate |
title_full | 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate |
title_fullStr | 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate |
title_full_unstemmed | 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate |
title_short | 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate |
title_sort | 2,2′-(piperazine-1,4-diyl)diethanaminium dibenzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414314/ https://www.ncbi.nlm.nih.gov/pubmed/22904847 http://dx.doi.org/10.1107/S1600536812030115 |
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