Acta Cryst. (2009). E65, o1249  [ doi:10.1107/S1600536809016742 ]

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

B. Huang, P.-P. Kung, A. L. Rheingold, A. DiPasquale and A. Yanovsky

Abstract: The title compound, C₉H₁₂N₄O₄S, 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-HO 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-HO with the participation of the pyrazole NH group and N-HS involving the second thiourea NH group) link the molecules into infinite chains running along [10].

Online 14 May 2009

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