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3,5-Bis(2,4-dinitro-phen-yl)-4-nitro-1H-pyrazole acetone monosolvate.

ABSTRACT: The title structure, C(15)H(7)N(7)O(10)·C(3)H(6)O, was prepared by penta-nitration 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 mol-ecule, owing to the NO(2) enhanced acidity of the proton. The NO(2) group on the phenyl C atom is twisted by 33.9?(2)° from coplanarity with the ring in order to avoid a short intra-molecular O?O contact with an O atom of an adjacent pyrazole-bonded NO(2) group.

SUBMITTER: Mathivathanan L

PROVIDER: S-EPMC3275082 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

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3,5-Bis(2,4-dinitro-phen-yl)-4-nitro-1H-pyrazole acetone monosolvate.

Mathivathanan Logesh L

Acta crystallographica. Section E, Structure reports online 20120114 Pt 2

The title structure, C(15)H(7)N(7)O(10)·C(3)H(6)O, was prepared by penta-nitration 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 mol-ecule, owing to the NO(2) enhanced acidity of the proton. The NO(2) group on the phenyl C atom is twisted by 33.9 (2)° from coplanarity with the ring in order to avoid a short intra-molecular O⋯O contact with an O atom of an adjacent pyrazole-bonded NO(2) group. ...[more]

PMID: 22347027

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