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

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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-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-mem...

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Crystal structure of 3-methyl-5-tri­methyl­silyl-1H-pyrazole

The title compound, C7H14N2Si, crystallizes in a tetra-gonal space group and exists as an N-H⋯N hydrogen-bonded tetra-mer, formed around the crystallographic fourfold rotoinversion axis. The mol-ecular identity is clearly the 5-tri-methyl-silyl-3-methyl-1H-pyrazole tautomer and the structure is isomorphous with that of 5-tert-butyl-3-methyl-1H-pyrazole [Foces-Foces & Trofimenko (2001 ▶). Acta C...

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Acetylation with acetic anhydride of methyl 5-amino-1H-[1,2,4]triazole-3-carboxylate, one of the hetareneamino acids, was studied using HPLC, H NMR, FTIR and GC-MS. The compound has a significantly decreased susceptibility to acetylation compared to 5-amino-1H-[1,2,4]triazole itself. Two isomeric diacetylated products were found.

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3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazole-4-carbaldehyde

In the title compound, C(17)H(14)N(2)O(2), the pyrazole ring makes dihedral angles of 73.67 (4) and 45.99 (4)°, respectively, with the adjacent phenyl and phen-oxy rings. In the crystal, there are no classical hydrogen bonds, but a weak C-H⋯π inter-action is observed.

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1-(2,4-Dinitro­phen­yl)-5-ferrocenyl-3-methyl-1H-pyrazole

In the title compound, [Fe(C(5)H(5))(C(15)H(11)N(4)O(4))], the dinitro-phenyl and cyclo-penta-dienyl rings make dihedral angles of 53.61 (6) and 23.11 (9)°, respectively, with the pyrazole unit. The two cyclo-penta-dienyl rings are in an eclipsed conformation. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions, which link mol-ecules into chains parallel to the b axis.

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2009

ISSN: 1600-5368

DOI: 10.1107/s1600536809016742