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

ABSTRACT: The title compound, C(6)H(11)N(3)O(2)S, consists of a roughly planar mol-ecule (r.m.s deviation from planarity = 0.077?Å for the non-H atoms) and has the S atom in an anti position to the imine N atom. This N atom is the acceptor of a strongly bent inter-nal N-H?N hydrogen bond donated by the amino group. In the crystal, mol-ecules are arranged in undulating layers parallel to (010). The mol-ecules are linked via inter-molecular amino-carboxyl N-H?O hydrogen bonds, forming chains parallel to [001]. The chains are cross-linked by N(carbazone)-H?S and C-H?S inter-actions, forming infinite sheets.

SUBMITTER: Correa CC 

PROVIDER: S-EPMC3212349 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

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

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 20110709 Pt 8

The title compound, C(6)H(11)N(3)O(2)S, consists of a roughly planar mol-ecule (r.m.s deviation from planarity = 0.077 Å for the non-H atoms) and has the S atom in an anti position to the imine N atom. This N atom is the acceptor of a strongly bent inter-nal N-H⋯N hydrogen bond donated by the amino group. In the crystal, mol-ecules are arranged in undulating layers parallel to (010). The mol-ecules are linked via inter-molecular amino-carboxyl N-H⋯O hydrogen bonds, forming chains parallel to [00  ...[more]