Tert-Butyl 4-{[5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl] carbonyl}piperazine-1-carboxylate

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Abstract

In the title pyrazole derivative, C 25 H 26 ClFN 4 O 3 , both benzene rings are twisted out of the plane through the pyrazole ring, with dihedral angles of 67.62 (10) and 27.63 (10)° for the fluoro- and chloro-substituted rings, respectively. The dihedral angle between the two benzene rings is 64.54 (9)°. The piperazine ring (with a chair conformation) is linked to the pyrazole ring via a carbonyl spacer and is orientated to lie to one side of the pyrazole plane. In addition to an intra-molecular C - H⋯N contact, there are inter-molecular C - H⋯O interactions, which generate a supra-molecular chain with an undulating topology along the c axis that is sustained by alternating centrosymmetric ten-membered {⋯HCNCO} 2 and {⋯HC3O} 2 synthons.

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APA

Ragavan, R. V., Vijayakumar, V., Sarveswari, S., Ng, S. W., & Tiekink, E. R. T. (2010). Tert-Butyl 4-{[5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl] carbonyl}piperazine-1-carboxylate. Acta Crystallographica Section E: Structure Reports Online, 66(10). https://doi.org/10.1107/S1600536810038560

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