Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



lh5629 scheme

Acta Cryst. (2013). E69, o1271    [ doi:10.1107/S1600536813019144 ]

(Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one

N. Sharma, K. M. Vyas, R. N. Jadeja, R. Kant and V. K. Gupta

Abstract: In the title molecule, C20H21N3O, the central pyrazole ring forms dihedral angles of 4.75 (9) and 49.11 (9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76 (8)°. The amino group and carbonyl O atom are involved in an intramolecular N-H...O hydrogen bond. In the crystal, [pi]-[pi] interactions are observed between benzene rings [centroid-centroid seperation = 3.892 (2) Å] and pyrazole rings [centroid-centroid seperation = 3.626 (2) Å], forming chains along [111]. The H atoms of the methyl group on the p-tolyl substituent were refined as disordered over two sets of sites in a 0.60 (4):0.40 (4) ratio.


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