Abstract

In the title compound, C26H23FN6S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The thio­urea group is close to being coplanar with the pyrazole N atoms [N—N—C—S torsion angle = 176.78 (15)°], which allows for an intra­molecular N—H⋯N hydrogen bond; the connected triazole ring is nearly coplanar with this ring [N—C—C—N = −172.65 (19)°]. There is a significant twist between the pyrazole ring and attached fluoro­benzene ring [N—C—C—C = −18.8 (3)°] and a greater twist between triazole and attached tolyl ring [dihedral angle = 58.25 (14)°]. In the crystal, supra­molecular chains aligned along [40,10] are consolidated by π–π inter­actions between the triazole and phenyl rings [centroid–centroid distance = 3.7053 (13) Å].

Highlights

  • In the title compound, C26H23FN6S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom

  • The thiourea group is close to being coplanar with the pyrazole N atoms [N—N—C—S torsion angle =

  • There is a significant twist between the pyrazole ring and attached fluorobenzene ring [N—C—C—C = 18.8 (3) ] and a greater twist between triazole and attached tolyl ring [dihedral angle =

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Summary

Agilent SuperNova Dual diffractometer with an Atlas detector

Rint = 0.040 a Applied Organic Chemistry Department, National Research Centre, Dokki, 12622. Egypt, bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and cChemistry Department, Faculty of Science, King Abdulaziz. C26H23FN6S, the pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The thiourea group is close to being coplanar with the pyrazole N atoms [N—N—C—S torsion angle =. 176.78 (15) ], which allows for an intramolecular N—H N hydrogen bond; the connected triazole ring is nearly coplanar with this ring [N—C—C—N = 172.65 (19) ]. There is a significant twist between the pyrazole ring and attached fluorobenzene ring [N—C—C—C = 18.8 (3) ] and a greater twist between triazole and attached tolyl ring [dihedral angle =.

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