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

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.

SUBMITTER: Ha K

PROVIDER: S-EPMC3344525 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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

Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

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 int ...[more]

PMID: 22590287

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