2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate

In the title structure, C(7)H(9)N(3)O(2)·H(2)O, there are two formula units in the asymmetric unit. The mol­ecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266 (3) Å. The two independent mol­ecules form a hydrogen-b...

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Detalles Bibliográficos
Autores principales: Sparrow, Christopher R., Walker, Edwin H., Fronczek, Frank R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011485/
https://www.ncbi.nlm.nih.gov/pubmed/21589454
http://dx.doi.org/10.1107/S1600536810045332
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author Sparrow, Christopher R.
Walker, Edwin H.
Fronczek, Frank R.
author_facet Sparrow, Christopher R.
Walker, Edwin H.
Fronczek, Frank R.
author_sort Sparrow, Christopher R.
collection PubMed
description In the title structure, C(7)H(9)N(3)O(2)·H(2)O, there are two formula units in the asymmetric unit. The mol­ecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266 (3) Å. The two independent mol­ecules form a hydrogen-bonded R (2) (2)(16) dimer about an approximate inversion center via N—H⋯O hydrogen bonds, with N⋯O distances of 2.766 (2) and 2.888 (2) Å. O—H⋯O hydro­gen bonds involving the water mol­ecules and additional N—H⋯O hydrogen bonds link these dimers, forming double chains.
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spelling pubmed-30114852010-12-30 2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate Sparrow, Christopher R. Walker, Edwin H. Fronczek, Frank R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title structure, C(7)H(9)N(3)O(2)·H(2)O, there are two formula units in the asymmetric unit. The mol­ecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266 (3) Å. The two independent mol­ecules form a hydrogen-bonded R (2) (2)(16) dimer about an approximate inversion center via N—H⋯O hydrogen bonds, with N⋯O distances of 2.766 (2) and 2.888 (2) Å. O—H⋯O hydro­gen bonds involving the water mol­ecules and additional N—H⋯O hydrogen bonds link these dimers, forming double chains. International Union of Crystallography 2010-11-13 /pmc/articles/PMC3011485/ /pubmed/21589454 http://dx.doi.org/10.1107/S1600536810045332 Text en © Sparrow et al. 2010 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
Sparrow, Christopher R.
Walker, Edwin H.
Fronczek, Frank R.
2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
title 2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
title_full 2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
title_fullStr 2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
title_full_unstemmed 2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
title_short 2-Amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
title_sort 2-amino-1-(2-carboxyl­atoeth­yl)pyrimidin-1-ium monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011485/
https://www.ncbi.nlm.nih.gov/pubmed/21589454
http://dx.doi.org/10.1107/S1600536810045332
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