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3-(4-Amino-phen-yl)-5-(4-meth-oxy-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.

ABSTRACT: In the mol-ecule of title pyrazoline derivative, C17H18N4OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the meth-oxy-phenyl 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 meth-oxy group is twisted slightly with respect to the attached benzene ring [Cmeth-yl-O-C-C torsion angle = -8.84?(15)°]. An intra-molecular N-H?N hydrogen bond occurs. In the crystal, the pyrazoline mol-ecules 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 ?-? inter-actions with centroid-centroid distances of 3.4690?(7) and 3.5792?(7)?Å. C-H?? inter-actions are also present.

SUBMITTER: Suwunwong T

PROVIDER: S-EPMC3793732 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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3-(4-Amino-phen-yl)-5-(4-meth-oxy-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.

Suwunwong Thitipone T Chantrapromma Suchada S Chidan Kumar C S CS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20130710 Pt 8

In the mol-ecule of title pyrazoline derivative, C17H18N4OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the meth-oxy-phenyl 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 meth-oxy group is twisted slightly with respect to the attached benzene ring [Cmeth-yl-O-C-C torsion angle = -8.84 (15)°]. An intra-molecular N-H⋯N hydrogen bond occurs. In the ...[more]

PMID: 24109319

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