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1,3-Dinitrosoimidazolidine
The title compound, C(3)H(6)N(4)O(2), exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relative syn spatial arrangement [O=N⋯N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414354/ https://www.ncbi.nlm.nih.gov/pubmed/22904887 http://dx.doi.org/10.1107/S1600536812030796 |
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author | Rivera, Augusto Quiroga, Diego Ríos-Motta, Jaime Dušek, Michal Fejfarová, Karla |
author_facet | Rivera, Augusto Quiroga, Diego Ríos-Motta, Jaime Dušek, Michal Fejfarová, Karla |
author_sort | Rivera, Augusto |
collection | PubMed |
description | The title compound, C(3)H(6)N(4)O(2), exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relative syn spatial arrangement [O=N⋯N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has an anti disposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH(2)—CH(2)—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds. |
format | Online Article Text |
id | pubmed-3414354 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34143542012-08-17 1,3-Dinitrosoimidazolidine Rivera, Augusto Quiroga, Diego Ríos-Motta, Jaime Dušek, Michal Fejfarová, Karla Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(3)H(6)N(4)O(2), exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relative syn spatial arrangement [O=N⋯N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has an anti disposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH(2)—CH(2)—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds. International Union of Crystallography 2012-07-14 /pmc/articles/PMC3414354/ /pubmed/22904887 http://dx.doi.org/10.1107/S1600536812030796 Text en © Rivera et al. 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 Rivera, Augusto Quiroga, Diego Ríos-Motta, Jaime Dušek, Michal Fejfarová, Karla 1,3-Dinitrosoimidazolidine |
title | 1,3-Dinitrosoimidazolidine |
title_full | 1,3-Dinitrosoimidazolidine |
title_fullStr | 1,3-Dinitrosoimidazolidine |
title_full_unstemmed | 1,3-Dinitrosoimidazolidine |
title_short | 1,3-Dinitrosoimidazolidine |
title_sort | 1,3-dinitrosoimidazolidine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414354/ https://www.ncbi.nlm.nih.gov/pubmed/22904887 http://dx.doi.org/10.1107/S1600536812030796 |
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