Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate

The title compound, C(6)H(11)N(3)O(3)·0.5H(2)O, has two independent mol­ecules and one mol­ecule of water in the asymmetric unit. The crystal packing is stabilized by inter­molecular N—H⋯N, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. These inter­actions form a two-dimensional array in the ab plane with a...

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Detalles Bibliográficos
Autores principales: Corrêa, Charlane C., Graúdo, José Eugênio J. C., de Oliveira, Luiz Fernando C., de Almeida, Mauro V., Diniz, Renata
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212277/
https://www.ncbi.nlm.nih.gov/pubmed/22090934
http://dx.doi.org/10.1107/S160053681102530X
Descripción
Sumario:The title compound, C(6)H(11)N(3)O(3)·0.5H(2)O, has two independent mol­ecules and one mol­ecule of water in the asymmetric unit. The crystal packing is stabilized by inter­molecular N—H⋯N, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. These inter­actions form a two-dimensional array in the ab plane with a zigzag motif which has an angle close to 35° between the zigzag planes. The hydrogen bonding can be best described using the graph-set notation as N (1) = C(10)R (2) (2)(10)R (2) (2)(8) and N (2) = R (6) (4)(20)R (2) (2)(8).

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