3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate

During the recrystallization of 3-[4-(2-carb­oxy­eth­yl)piperazin-1-yl]propionic acid, the carb­oxy­lic acid H atoms were transferred to the piperazine N atoms, forming the title compound, C(10)H(18)N(2)O(4)·2H(2)O, in which the zwitterion lies about an inversion center. In the crystal, bifurcated N...

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Autores principales: Jin, Shouwen, Huang, Yanfei, Fang, Hao, Wang, Tianyi, Ding, Liangliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470189/
https://www.ncbi.nlm.nih.gov/pubmed/23125633
http://dx.doi.org/10.1107/S1600536812037312
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author Jin, Shouwen
Huang, Yanfei
Fang, Hao
Wang, Tianyi
Ding, Liangliang
author_facet Jin, Shouwen
Huang, Yanfei
Fang, Hao
Wang, Tianyi
Ding, Liangliang
author_sort Jin, Shouwen
collection PubMed
description During the recrystallization of 3-[4-(2-carb­oxy­eth­yl)piperazin-1-yl]propionic acid, the carb­oxy­lic acid H atoms were transferred to the piperazine N atoms, forming the title compound, C(10)H(18)N(2)O(4)·2H(2)O, in which the zwitterion lies about an inversion center. In the crystal, bifurcated N—H⋯(O,O) hydrogen bonds connect the zwitterions into a two-dimensional framework parallel to (-102) forming R (4) (4)(30) rings. O—H⋯O hydrogen bonds involving the solvent water mol­ecules connect the two-dimensional framework into a three-dimensional network. In addition, weak C—H⋯O hydrogen bonds are observed.
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spelling pubmed-34701892012-11-02 3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate Jin, Shouwen Huang, Yanfei Fang, Hao Wang, Tianyi Ding, Liangliang Acta Crystallogr Sect E Struct Rep Online Organic Papers During the recrystallization of 3-[4-(2-carb­oxy­eth­yl)piperazin-1-yl]propionic acid, the carb­oxy­lic acid H atoms were transferred to the piperazine N atoms, forming the title compound, C(10)H(18)N(2)O(4)·2H(2)O, in which the zwitterion lies about an inversion center. In the crystal, bifurcated N—H⋯(O,O) hydrogen bonds connect the zwitterions into a two-dimensional framework parallel to (-102) forming R (4) (4)(30) rings. O—H⋯O hydrogen bonds involving the solvent water mol­ecules connect the two-dimensional framework into a three-dimensional network. In addition, weak C—H⋯O hydrogen bonds are observed. International Union of Crystallography 2012-09-01 /pmc/articles/PMC3470189/ /pubmed/23125633 http://dx.doi.org/10.1107/S1600536812037312 Text en © Jin 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
Jin, Shouwen
Huang, Yanfei
Fang, Hao
Wang, Tianyi
Ding, Liangliang
3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
title 3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
title_full 3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
title_fullStr 3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
title_full_unstemmed 3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
title_short 3,3′-(Piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
title_sort 3,3′-(piperazine-1,4-diium-1,4-di­yl)di­propionate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470189/
https://www.ncbi.nlm.nih.gov/pubmed/23125633
http://dx.doi.org/10.1107/S1600536812037312
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AT wangtianyi 33piperazine14diium14diyldipropionatedihydrate
AT dingliangliang 33piperazine14diium14diyldipropionatedihydrate

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