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3,4-Dinitro-1H-pyrazole benzene 0.25-solvate.

ABSTRACT: The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro-pyrazole mol-ecules and half a benzene solvent mol-ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002?Å), with the two nitro groups rotated out of the plane [dihedral angles = 11.7?(2)/31.1?(1) and 21.8?(2)/25.0?(1)° for the two mol-ecules].

SUBMITTER: Li YX

PROVIDER: S-EPMC3120617 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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3,4-Dinitro-1H-pyrazole benzene 0.25-solvate.

Li Yong-Xiang YX Du Shan S Wang Jian-Long JL

Acta crystallographica. Section E, Structure reports online 20110511 Pt 6

The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro-pyrazole mol-ecules and half a benzene solvent mol-ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with the two nitro groups rotated out of the plane [dihedral angles = 11.7 (2)/31.1 (1) and 21.8 (2)/25.0 (1)° for the two mol-ecules]. ...[more]

PMID: 21754761

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