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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.

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.


A view of the intermolecular interactions in the title compound. [Symmetry codes: (i) -x, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z.]
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Fap2: A view of the intermolecular interactions in the title compound. [Symmetry codes: (i) -x, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z.]


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)

A view of the intermolecular interactions in the title compound. [Symmetry codes: (i) -x, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

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

Fap2: A view of the intermolecular interactions in the title compound. [Symmetry codes: (i) -x, -y + 1, -z + 1; (ii) -x + 1, -y + 1, -z.]
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.