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

In the title pyrazole derivative, C25H26ClFN4O3, 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 intramolecular C—H...N contact, there are intermolecular C—H...O interactions, which generate a supramolecular chain with an undulating topology along the c axis that is sustained by alternating centrosymmetric ten-membered {...HCNCO}2 and {...HC3O}2 synthons.

Abstract licence: CC BY

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