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3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-N-phenyl-5-[4-(piperidin-1-yl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide dimethylformamide hemisolvate

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Author(s): Bakr F. Abdel-Wahab | Hanan A. Mohamed | Seik Weng Ng | Edward R. T. Tiekink

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 68;
Issue: 7;
Start page: o1985;
Date: 2012;
Original page

ABSTRACT
The essentially planar pyrazole ring (r.m.s. deviation = 0.013 Å) in the title hemisolvate, C31H33N7S·0.5C3H7NO, is almost coplanar with the pendant thiourea residue [N—N—C—S torsion angle = −173.2 (4)°] and slightly twisted with respect to the triazole ring [dihedral angle = 7.7 (3)°]. An intramolecular thiourea–pyrazole N—H...N hydrogen bond, via an S(5) loop, is formed. Supramolecular chains along the c axis are formed in the crystal via piperidine–triazole C—H...N interactions. These are bridged into loosely associated double chains via C—H...O interactions involving the disordered (over two positions) dimethylformamide solvent molecules. The thiourea-bound phenyl ring is also disordered over two positions of equal occupancy.
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