Methyl 3-[3-(ethoxycarbonyl)thioureido]-1H-pyrazole-5-carboxylate
نویسندگان
چکیده
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-carboxyl-ate with ethyl isothio-cyanato-carbonate. All non-H atoms of the mol-ecule are planar, the mean deviation from the least squares plane being 0.048 Å. The intra-molecular N-H⋯O bond involving the NH-group, which links the thio-urea 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 thio-urea NH group) link the mol-ecules into infinite chains running along [10].
منابع مشابه
tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
The reaction of (E)-tert-butyl 4-[3-(dimethyl-amino)acrylo-yl]piperidine-1-carboxyl-ate with methyl-hydrazine leads to the formation of the title compound, C(14)H(23)N(3)O(2), with a 1-methyl-1H-pyrazol-5-yl substituent. The plane of the pyrazole ring forms a dihedral angle of 33.4 (1)° with the approximate mirror plane of the piperidine ring.
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The asymmetric unit of the title compound, C8H9N5O2, contains two independent mol-ecules (A and B) in which the dihedral angles between the triazole and pyrazole rings are 4.80 (14) and 8.45 (16)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into supra-molecular independent A and B chains propagating along the b-axis direction. The crystal structure also features π-π stacking ...
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The title compound, C(11)H(11)BrClN(3)O(2), contains two mol-ecules in the asymmetric unit in which the dihedral angles between the pyrazole and pyridine rings are 30.0 (2) and 22.3 (2)°.
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عنوان ژورنال:
دوره 65 شماره
صفحات -
تاریخ انتشار 2009