Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



rz5075 scheme

Acta Cryst. (2013). E69, o1227-o1228    [ doi:10.1107/S1600536813018096 ]

3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

T. Suwunwong, S. Chantrapromma, C. S. Chidan Kumar and H.-K. Fun

Abstract: In the molecule of title pyrazoline derivative, C17H18N4OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the methoxyphenyl substituent, displaced by 0.0750 (12) Å from the plane through the other ring atoms. The two substituted benzene rings make a dihedral angle of 70.59 (6)°. The methoxy group is twisted slightly with respect to the attached benzene ring [Cmethyl-O-C-C torsion angle = -8.84 (15)°]. An intramolecular N-H...N hydrogen bond occurs. In the crystal, the pyrazoline molecules are linked by N-H...O and N-H...S hydrogen bonds into zigzag layers parallel to the bc plane and stacked along the a axis by [pi]-[pi] interactions with centroid-centroid distances of 3.4690 (7) and 3.5792 (7) Å. C-H...[pi] interactions are also present.


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