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

Tokutome Y, Okuno T - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: E63, o4194].The dihedral angle between the benzene rings is 44.16 (5)°, smaller than in the previously reported polymorph [56.3 (2)°].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.

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Affiliation: Department of Material Science and Chemistry, Wakayama University, Sakaedani, Wakayama, 640-8510, Japan.

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.

No MeSH data available.


The asymmetric unit of the title compound with atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres.
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Fap1: The asymmetric unit of the title compound with atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres.


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

Tokutome Y, Okuno T - Acta Crystallogr Sect E Struct Rep Online (2013)

The asymmetric unit of the title compound with atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569221&req=5

Fap1: The asymmetric unit of the title compound with atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres.
Bottom Line: E63, o4194].The dihedral angle between the benzene rings is 44.16 (5)°, smaller than in the previously reported polymorph [56.3 (2)°].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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Material Science and Chemistry, Wakayama University, Sakaedani, Wakayama, 640-8510, Japan.

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.

No MeSH data available.