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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3344525 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT hakwang 44dinitro22propane13diylbisiminiumylmethanylylidenediphenolate |