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
Descripción
Sumario: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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