Acta Cryst. (2007). C63, o462-o467 [ doi:10.1107/S0108270107029447 ]
Abstract: The molecules of methyl 3-(2-nitrophenylhydrazono)butanoate, C11H13N3O4, (I), and methyl 3-(2,4-dinitrophenylhydrazono)butanoate, C11H12N4O6, (II), both prepared from methyl 3-oxobutanoate and the corresponding nitrophenylhydrazine, exhibit polarized molecular electronic structures; in each of (I) and (II), the molecules are linked into chains by a single C-H
O hydrogen bond. The molecules of 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole, C10H10N2O, (III), prepared by the reaction of methyl 3-oxobutanoate and phenylhydrazine, are linked into chains by a single O-HN hydrogen bond. The reaction between methyl 3-oxobutanoate and 3-nitrophenylhydrazine yields 5-hydroxy-3-methyl-1-(3-nitrophenyl)-1H-pyrazole, (IV), which when crystallized from acetone yields 4-isopropylidene-3-methyl-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one, C13H13N3O3, (V).
Formula: C11H13N3O4, C11H12N4O6, C10H10N2O and C13H13N3O3
 |   Structure factor file (CIF format) (128.6 kbytes) |
| Structure factor file (CIF format) (148.9 kbytes) |
| Structure factor file (CIF format) (52.1 kbytes) |
| Structure factor file (CIF format) (135.1 kbytes) |
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