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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...

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Detalles Bibliográficos
Autores principales: Cukrowski, Ignacy, Adeyinka, Adedapo S., Liles, David C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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