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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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
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author Corrêa, Charlane C.
Graúdo, José Eugênio J. C.
de Oliveira, Luiz Fernando C.
de Almeida, Mauro V.
Diniz, Renata
author_facet Corrêa, Charlane C.
Graúdo, José Eugênio J. C.
de Oliveira, Luiz Fernando C.
de Almeida, Mauro V.
Diniz, Renata
author_sort Corrêa, Charlane C.
collection PubMed
description 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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spelling pubmed-32122772011-11-16 Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate Corrêa, Charlane C. Graúdo, José Eugênio J. C. de Oliveira, Luiz Fernando C. de Almeida, Mauro V. Diniz, Renata Acta Crystallogr Sect E Struct Rep Online Organic Papers 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). International Union of Crystallography 2011-07-02 /pmc/articles/PMC3212277/ /pubmed/22090934 http://dx.doi.org/10.1107/S160053681102530X Text en © Corrêa et al. 2011 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
Corrêa, Charlane C.
Graúdo, José Eugênio J. C.
de Oliveira, Luiz Fernando C.
de Almeida, Mauro V.
Diniz, Renata
Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
title Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
title_full Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
title_fullStr Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
title_full_unstemmed Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
title_short Ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
title_sort ethyl 2-[(carbamoyl­amino)­imino]­propano­ate hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212277/
https://www.ncbi.nlm.nih.gov/pubmed/22090934
http://dx.doi.org/10.1107/S160053681102530X
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