Cargando…

Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate

The title compound, 2C(3)H(7)N(6) (+)·C(6)H(7)NO(6) (2−)·3H(2)O, was obtained by mixing melamine and nitrilo­tri­acetic acid in aqueous solution. There is proton transfer from the nitrilo­triacteic acid to melamine to produce two melaminium cations and an inter­nal proton transfer to generate the [H...

Descripción completa

Detalles Bibliográficos
Autores principales: Hoxha, Kreshnik, Prior, Timothy J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884332/
https://www.ncbi.nlm.nih.gov/pubmed/24454108
http://dx.doi.org/10.1107/S1600536813028250
_version_ 1782298566234996736
author Hoxha, Kreshnik
Prior, Timothy J.
author_facet Hoxha, Kreshnik
Prior, Timothy J.
author_sort Hoxha, Kreshnik
collection PubMed
description The title compound, 2C(3)H(7)N(6) (+)·C(6)H(7)NO(6) (2−)·3H(2)O, was obtained by mixing melamine and nitrilo­tri­acetic acid in aqueous solution. There is proton transfer from the nitrilo­triacteic acid to melamine to produce two melaminium cations and an inter­nal proton transfer to generate the [HN(CH(2)COO)](2−) zwitterion. The melaminium cations are arranged in hydrogen-bonded tapes formed by N—H⋯N inter­actions. These tapes extend parallel to the [010] direction and are stacked parallel to the a axis at a mean separation of 3.3559 (11) Å. Between these tapes lie the anions and lattice water mol­ecules. Further O—H⋯O and N—H⋯O hydrogen bonds exist between the water mol­ecules, the anions, and the melaminium cations, generating a three-dimensional array. The crystal examined was found to be twinned by a twofold rotation about the direct lattice direction [100]. The two twin components were present in the ratio 0.5918:0.4082 (14).
format Online
Article
Text
id pubmed-3884332
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-38843322014-01-17 Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate Hoxha, Kreshnik Prior, Timothy J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, 2C(3)H(7)N(6) (+)·C(6)H(7)NO(6) (2−)·3H(2)O, was obtained by mixing melamine and nitrilo­tri­acetic acid in aqueous solution. There is proton transfer from the nitrilo­triacteic acid to melamine to produce two melaminium cations and an inter­nal proton transfer to generate the [HN(CH(2)COO)](2−) zwitterion. The melaminium cations are arranged in hydrogen-bonded tapes formed by N—H⋯N inter­actions. These tapes extend parallel to the [010] direction and are stacked parallel to the a axis at a mean separation of 3.3559 (11) Å. Between these tapes lie the anions and lattice water mol­ecules. Further O—H⋯O and N—H⋯O hydrogen bonds exist between the water mol­ecules, the anions, and the melaminium cations, generating a three-dimensional array. The crystal examined was found to be twinned by a twofold rotation about the direct lattice direction [100]. The two twin components were present in the ratio 0.5918:0.4082 (14). International Union of Crystallography 2013-10-19 /pmc/articles/PMC3884332/ /pubmed/24454108 http://dx.doi.org/10.1107/S1600536813028250 Text en © Hoxha and Prior 2013 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
Hoxha, Kreshnik
Prior, Timothy J.
Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
title Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
title_full Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
title_fullStr Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
title_full_unstemmed Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
title_short Bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
title_sort bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) 2-[bis­(carboxyl­atometh­yl)aza­nium­yl]acetate trihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884332/
https://www.ncbi.nlm.nih.gov/pubmed/24454108
http://dx.doi.org/10.1107/S1600536813028250
work_keys_str_mv AT hoxhakreshnik bis246triamino135triazin1ium2biscarboxylatomethylazaniumylacetatetrihydrate
AT priortimothyj bis246triamino135triazin1ium2biscarboxylatomethylazaniumylacetatetrihydrate