Structure of (E)-4-amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-di-hydro-1H-pyrazol-4-yl)imino]-meth-yl}-1-methyl-2-phenyl-2,3-di-hydro-1H-pyrazol-3-one: aerial oxidation of 4-amino-anti-pyrine in di-methyl-formamide.

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作者:Kumaravel R, Stoeckli-Evans Helen, Subashini A, Shankar M G, Kučeráková Monika, DuÅ¡ek Michal, Crochet Aurélien, Ramamurthi K
The title compound, C(22)H(22)N(6)O(2) (I), is the result of the aerial oxidation of the 5-methyl group of 4-amino-anti-pyrine to an aldehyde group followed by Schiff base formation with a second mol-ecule of 4-amino-anti-pyrine. The reaction only takes place in the presence of di-methyl-formamide. The central unit of the mol-ecule is close to planar, the pyrazole rings being inclined to each other by 3.74†(15)°. There is an intra-molecular N-H⋯N hydrogen bond enclosing an S(6) ring motif and there are two further S(6) rings involving weak C-H⋯O=C hydrogen bonds. The mol-ecule has an E configuration about the azomethine (-N=CH-) bond. In the crystal, inversion-related mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming dimers enclosing R (2) (2)(10) loops. The dimers are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, leading to the formation of a three-dimensional supra-molecular network.

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