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Ethyl 2-[(carbamoyl-amino)-imino]-propano-ate hemihydrate.

ABSTRACT: The title compound, C(6)H(11)N(3)O(3)·0.5H(2)O, has two independent mol-ecules and one mol-ecule of water in the asymmetric unit. The crystal packing is stabilized by inter-molecular N-H?N, O-H?O, N-H?O and C-H?O hydrogen bonds. These inter-actions 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).

SUBMITTER: Correa CC

PROVIDER: S-EPMC3212277 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Ethyl 2-[(carbamoyl-amino)-imino]-propano-ate hemihydrate.

Corrêa Charlane C CC Graúdo José Eugênio J C JE de Oliveira Luiz Fernando C LF de Almeida Mauro V MV Diniz Renata R

Acta crystallographica. Section E, Structure reports online 20110702 Pt 8

The title compound, C(6)H(11)N(3)O(3)·0.5H(2)O, has two independent mol-ecules and one mol-ecule of water in the asymmetric unit. The crystal packing is stabilized by inter-molecular N-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds. These inter-actions 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) ...[more]

PMID: 22090934

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