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

• Main Authors: Hoong-Kun Fun, C. S. Chidan Kumar, Suchada Chantrapromma, Thitipone Suwunwong
• Format: Article
• Language: English
• Published: International Union of Crystallography 2013-08-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536813018096

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 π–π interactions with centroid–centroid distances of 3.4690 (7) and 3.5792 (7) Å. C—H...π interactions are also present.