Abstract
The molecular and crystal structures of 1-phenyl-3-methyl-4-(2′,4′-dimethyl-phenylazo) pyrazolone-5 were determined. In the crystal the molecule exists as the hydrazone tautomer. The pyrazole ring is planar, and the substituents are practically coplanar with it. The molecule contains an intramolecular NH...O hydrogen bond that closes a practically planar six-membered ring (N...O, 2.77 (I), H...O 2.14 Å, angle at H(N(4)) hydrogen 131 °). The x-ray diffraction data agree with the spectral data and with the CNO calculation.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 6, pp. 816–821, June, 1985.
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Kuz'mina, L.G., Grigor'eva, L.P., Struchkov, Y.T. et al. X-ray diffraction and spectral studies of 1-phenyl-3-methyl-4-(2′,4′-Dimethylphenylazo)-pyrazolone-5. Chem Heterocycl Compd 21, 680–684 (1985). https://doi.org/10.1007/BF00515072
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DOI: https://doi.org/10.1007/BF00515072