Methyl 3-[3-(ethoxy­carbon­yl)thio­ureido]-1H-pyrazole-5-carboxyl­ate

The title compound, C(9)H(12)N(4)O(4)S, was proven to be the product of the reaction of methyl 5-amino-1H-pyrazole-3-carboxyl­ate with ethyl isothio­cyanato­carbonate. All non-H atoms of the mol­ecule are planar, the mean deviation from the least squares plane being 0.048 Å. The intra­molecular N—H⋯...

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Detalles Bibliográficos
Autores principales: Huang, Buwen, Kung, Pei-Pei, Rheingold, Arnold L., DiPasquale, Antonio, Yanovsky, Alex
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969634/
https://www.ncbi.nlm.nih.gov/pubmed/21583114
http://dx.doi.org/10.1107/S1600536809016742
Descripción
Sumario:The title compound, C(9)H(12)N(4)O(4)S, was proven to be the product of the reaction of methyl 5-amino-1H-pyrazole-3-carboxyl­ate with ethyl isothio­cyanato­carbonate. All non-H atoms of the mol­ecule are planar, the mean deviation from the least squares plane being 0.048 Å. The intra­molecular N—H⋯O bond involving the NH-group, which links the thio­urea and pyrazole fragments, closes a six-membered pseudo-heterocyclic ring, and two more hydrogen bonds (N—H⋯O with the participation of the pyrazole NH group and N—H⋯S involving the second thio­urea NH group) link the mol­ecules into infinite chains running along [1[Image: see text]0].

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