Abstract
In the title compound, C28H22BrFN6S, the central pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The dihedral angles between the least-squares plane through this ring and the adjacent thiazole [18.81 (15)°] and triazole [1.83 (16)°] rings indicate a twist in the molecule. A further twist is evident by the dihedral angle of 64.48 (16)° between the triazole ring and the attached benzene ring. In the crystal, C—H⋯N, C—H⋯F, C—H⋯π and π–π interactions [occurring between the thiazole and triazole rings, centroid–centroid distance = 3.571 (2) Å] link molecules into a three-dimensional architecture. The sample studied was a non-merohedral twin; the minor twin component refined to 47.16 (7)%.
Highlights
In the title compound, C28H22BrFN6S, the central pyrazole ring has an envelope conformation, with the methine C atom being the flap atom
The dihedral angles between the leastsquares plane through this ring and the adjacent thiazole
[18.81 (15) ] and triazole [1.83 (16) ] rings indicate a twist in the molecule
Summary
Egypt, bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and cChemistry Department, Faculty of Science, King Abdulaziz. R factor = 0.035; wR factor = 0.077; data-to-parameter ratio = 15.8. C28H22BrFN6S, the central pyrazole ring has an envelope conformation, with the methine C atom being the flap atom. The dihedral angles between the leastsquares plane through this ring and the adjacent thiazole [18.81 (15) ] and triazole [1.83 (16) ] rings indicate a twist in the molecule. A further twist is evident by the dihedral angle of 64.48 (16) between the triazole ring and the attached benzene ring. C—H N, C—H F, C—H and – interactions [occurring between the thiazole and triazole rings, centroid–centroid distance = 3.571 (2) Å] link molecules into a three-dimensional architecture. The sample studied was a non-merohedral twin; the minor twin component refined to 47.16 (7)%
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