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(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), consists of two independent mol-ecules with similar geometries, each adopting a trans configuration about the olefinic double bond. The two mol-ecules are both almost planar (r.m.s. deviations = 0.034 and 0.035?Å) and form a dihedral angle of 83.62?(2)°. Short N?O contacts [2.834?(3)-2.861?(3)?Å] are observed between the nitro groups of neighbouring mol-ecules, with the O atom located directly atop the p orbital of the N atom. In the crystal, the mol-ecules are linked into a three-dimensional network by the N?O inter-actions and by C-H?O hydrogen bonds.

SUBMITTER: Jing LH 

PROVIDER: S-EPMC2971267 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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(E)-1-Nitro-4-(2-nitro-ethen-yl)benzene.

Jing Lin-Hai LH  

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), consists of two independent mol-ecules with similar geometries, each adopting a trans configuration about the olefinic double bond. The two mol-ecules are both almost planar (r.m.s. deviations = 0.034 and 0.035 Å) and form a dihedral angle of 83.62 (2)°. Short N⋯O contacts [2.834 (3)-2.861 (3) Å] are observed between the nitro groups of neighbouring mol-ecules, with the O atom located directly atop the p orbital of the N atom. In the c  ...[more]

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