Enamine Configuration of 5-Methyl-2-phenyl-4- [(Z)-3-tolylamino-phenylmethylene]pyrazol-3(2H)-one

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Compound 5-methyl-2-phenyl-4-[(Z)-3-tolylamino-phenylmethylene]pyrazol-3(2H)- one (C24H21N3O) crystallizes in the triclinic system, space group P1, with a = 9.267(3), b = 9.904(4), c = 12.035(4) ?, α = 97.896(6), β = 103.865(6), γ = 107.950(6)o, Mr = 367.44, Z = 2, V = 993.2(6) ?3, Dc = 1.229 g/cm3, μ(MoKα) = 0.077 mm-1 and F(000) = 388. The structure was refined to R = 0.0444 and wR = 0.1199 for 2903 observed reflections (I > 2σ(I)). The results of 1H NMR and single-crystal X-ray diffraction studies showed the enamine character of the compound. The strong intramolecular hydrogen bonds in the large conjugate system, together with weak intermolecular C–H…π hydrogen bonding and π…π stacking, lead to the formation of a multi-dimensional supramolecular network. (C24H21N3O) crystallizes in the triclinic system, space group P1, with a = 9.267 (3). The results showed that pyrazol- , b = 9.904 (4), c = 12.035 (4) ?,? = 97.896 (6),? = 103.865 (6),? = 107.950 (6) o, Mr = 367.44, Z = 2, V = 993.2 Μ (MoKα) = 0.077 mm-1 and F (000) = 388. The structure was refined to R = 0.0444 and wR = 0.1199 for 2903 at reflections (I> 2σ The results of 1H NMR and single-crystal X-ray diffraction studies showed the enamine character of the compound. The strong intramolecular hydrogen bonds in the large conjugate system, together with weak intermolecular C-H ... π hydrogen bonding and π ... π stacking, lead to the formation of a multi-dimensional supramolecular network.
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