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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...

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Autores principales: Rivera, Augusto, Quiroga, Diego, Ríos-Motta, Jaime, Dušek, Michal, Fejfarová, Karla
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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