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4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylyl-idene)]diphenolate.

Ha K - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The title compound, C(17)H(16)N(4)O(6), is a Schiff base, which is found as a bis-zwitterion in the solid state.The zwitterion shows strong intra-molecular N-H⋯O hydrogen bonds between the iminium N and phenolate O atom.In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds assemble pairs of molecules into inversion dimers.

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Affiliation: School of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea.

ABSTRACT
The title compound, C(17)H(16)N(4)O(6), is a Schiff base, which is found as a bis-zwitterion in the solid state. The geometry around the iminium N atom indicates sp(2)-hybridization. The diiminiumpropyl-ene chain is in an approximate double-gauche conformation, with average N-C-C-C torsion angles of 69.3°. The zwitterion shows strong intra-molecular N-H⋯O hydrogen bonds between the iminium N and phenolate O atom. In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds assemble pairs of molecules into inversion dimers.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound, with atom numbering. Displacement ellipsoids are drawn at the 50% probability level for non-H atoms.
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Fap1: The molecular structure of the title compound, with atom numbering. Displacement ellipsoids are drawn at the 50% probability level for non-H atoms.


4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylyl-idene)]diphenolate.

Ha K - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound, with atom numbering. Displacement ellipsoids are drawn at the 50% probability level for non-H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344525&req=5

Fap1: The molecular structure of the title compound, with atom numbering. Displacement ellipsoids are drawn at the 50% probability level for non-H atoms.
Bottom Line: The title compound, C(17)H(16)N(4)O(6), is a Schiff base, which is found as a bis-zwitterion in the solid state.The zwitterion shows strong intra-molecular N-H⋯O hydrogen bonds between the iminium N and phenolate O atom.In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds assemble pairs of molecules into inversion dimers.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea.

ABSTRACT
The title compound, C(17)H(16)N(4)O(6), is a Schiff base, which is found as a bis-zwitterion in the solid state. The geometry around the iminium N atom indicates sp(2)-hybridization. The diiminiumpropyl-ene chain is in an approximate double-gauche conformation, with average N-C-C-C torsion angles of 69.3°. The zwitterion shows strong intra-molecular N-H⋯O hydrogen bonds between the iminium N and phenolate O atom. In the crystal, bifurcated N-H⋯(O,O) hydrogen bonds assemble pairs of molecules into inversion dimers.

No MeSH data available.


Related in: MedlinePlus