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4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate

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 diiminiumpropyl­ene chain is in an approximate double-gauche conformation, with average N—C—C—C torsion angles o...

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Autor principal: Ha, Kwang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344525/
https://www.ncbi.nlm.nih.gov/pubmed/22590287
http://dx.doi.org/10.1107/S1600536812015504
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author Ha, Kwang
author_facet Ha, Kwang
author_sort Ha, Kwang
collection PubMed
description 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 diiminiumpropyl­ene chain is in an approximate double-gauche conformation, with average N—C—C—C torsion angles of 69.3°. The zwitterion shows strong intra­molecular 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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spelling pubmed-33445252012-05-15 4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate Ha, Kwang Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 diiminiumpropyl­ene chain is in an approximate double-gauche conformation, with average N—C—C—C torsion angles of 69.3°. The zwitterion shows strong intra­molecular 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. International Union of Crystallography 2012-04-18 /pmc/articles/PMC3344525/ /pubmed/22590287 http://dx.doi.org/10.1107/S1600536812015504 Text en © Kwang Ha 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Ha, Kwang
4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
title 4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
title_full 4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
title_fullStr 4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
title_full_unstemmed 4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
title_short 4,4′-Dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
title_sort 4,4′-dinitro-2,2′-[propane-1,3-diylbis(iminiumylmethanylyl­idene)]diphenolate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344525/
https://www.ncbi.nlm.nih.gov/pubmed/22590287
http://dx.doi.org/10.1107/S1600536812015504
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