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A second monoclinic polymorph of N-(2,4-dinitro-phen-yl)-2,4-dinitro-aniline.

ABSTRACT: The title compound, C(12)H(7)N(5)O(8), was previously described in space group P2(1)/n with Z = 4 [Wu et al. (2007 ?). Acta Cryst. E63, o4194]. The current monoclinic P2(1)/c polymorph was obtained from a mixed solution of dichloro-methane and hexane. The dihedral angle between the benzene rings is 44.16?(5)°, smaller than in the previously reported polymorph [56.3?(2)°]. As a result of the steric hinderance of the nitro groups, hydrogen bonding is limited intramolecularly. The dihedral angles between the phenyl rings and their attached nitro groups are 18.97?(6) and 17.71?(5)° at the 2-position, and 18.52?(6) and 32.41?(6)° at the 4-position.

SUBMITTER: Tokutome Y

PROVIDER: S-EPMC3569221 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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A second monoclinic polymorph of N-(2,4-dinitro-phen-yl)-2,4-dinitro-aniline.

Tokutome Yui Y Okuno Tsunehisa T

Acta crystallographica. Section E, Structure reports online 20130104 Pt 2

The title compound, C(12)H(7)N(5)O(8), was previously described in space group P2(1)/n with Z = 4 [Wu et al. (2007 ▶). Acta Cryst. E63, o4194]. The current monoclinic P2(1)/c polymorph was obtained from a mixed solution of dichloro-methane and hexane. The dihedral angle between the benzene rings is 44.16 (5)°, smaller than in the previously reported polymorph [56.3 (2)°]. As a result of the steric hinderance of the nitro groups, hydrogen bonding is limited intramolecularly. The dihedral angles b ...[more]

PMID: 23424444

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