Abstract
In the title compound, C11H11N5OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and 10.61 (18)°, respectively. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are connected by intermolecular N—H⋯O and C—H⋯S hydrogen bonds, forming R 2 2(12) ring motifs. In addition, there is a π–π stacking interaction [centroid–centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These interactions link the molecules into infinite chains along [001].
Highlights
In the title compound, C11H11N5OS, the pyrazole ring is approximately planar, with a maximum deviation of
The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and
Centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These interactions link the molecules into infinite chains along [001]
Summary
R factor = 0.049; wR factor = 0.135; data-to-parameter ratio = 26.8. C11H11N5OS, the pyrazole ring is approximately planar, with a maximum deviation of. The dihedral angles between the benzene ring and the pyrazole and carbothioamide groups are 5.42 (9) and. An intramolecular N—H O hydrogen bond generates an S(6) ring motif. Molecules are connected by intermolecular N—H O and. C—H S hydrogen bonds, forming R22(12) ring motifs. There is a – stacking interaction [centroid–. Centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These interactions link the molecules into infinite chains along [001]
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