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 =
Summary
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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