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

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

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APA

Suwunwong, T., Chantrapromma, S., Chidan Kumar, C. S., & Fun, H. K. (2013). 3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1- carbothioamide. Acta Crystallographica Section E: Structure Reports Online, 69(8). https://doi.org/10.1107/S1600536813018096

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