Research Article: 3,5-Bis(2,4-dinitro­phen­yl)-4-nitro-1H-pyrazole acetone monosolvate

Date Published: February 01, 2012

Publisher: International Union of Crystallography

Author(s): Logesh Mathivathanan.


The title structure, C15H7N7O10·C3H6O, was prepared by penta­nitration of 3,5-diphenyl-1H-pyrazole. The proton attached to a pyrazole N atom forms a hydrogen bond with the O atom of the acetone solvent mol­ecule, owing to the NO2 enhanced acidity of the proton. The NO2 group on the phenyl C atom is twisted by 33.9 (2)° from coplanarity with the ring in order to avoid a short intra­molecular O⋯O contact with an O atom of an adjacent pyrazole-bonded NO2 group.

Partial Text

For the nitration of 1H-pyrazole, see: Maresca et al. (1997 ▶). For the crystal structure of 3,5-diphenyl-1H-pyrazole, which shows a hydrogen-bonded tetra­meric structure, see: Raptis et al. (1993 ▶). For a crystallographic and ab initio study of 1H-pyrazoles, see: Foces-Foces et al. (2000 ▶).