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Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide
The asymmetric unit of the title compound, NH(4) (+)·CF(2)NO(4)S(2) (−), consists of two crystallographically independent ammonium cations and two 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide anions all located in general positions. The S—C—S—N rings of both crystallographically indepen...
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/PMC3393267/ https://www.ncbi.nlm.nih.gov/pubmed/22807824 http://dx.doi.org/10.1107/S1600536812024221 |
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author | Finze, Maik Reiss, Guido J. |
author_facet | Finze, Maik Reiss, Guido J. |
author_sort | Finze, Maik |
collection | PubMed |
description | The asymmetric unit of the title compound, NH(4) (+)·CF(2)NO(4)S(2) (−), consists of two crystallographically independent ammonium cations and two 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide anions all located in general positions. The S—C—S—N rings of both crystallographically independent anions are almost planar, with the N atom bent out of the plane by 9.82 (5) and 12.82 (4)°. The structure was determined from a crystal twinned by inversion, with refined components in the ratio 0.73 (4):0.27 (4). Anions and cations are connected via hydrogen bonds (N—H⋯O and N—H⋯N) to form a three-dimensional framework. This framework is composed of two different layers parallel to the ab plane, which are built by the ammonium cations on the one hand and the complex cyclic anions on the other. |
format | Online Article Text |
id | pubmed-3393267 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33932672012-07-17 Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide Finze, Maik Reiss, Guido J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, NH(4) (+)·CF(2)NO(4)S(2) (−), consists of two crystallographically independent ammonium cations and two 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide anions all located in general positions. The S—C—S—N rings of both crystallographically independent anions are almost planar, with the N atom bent out of the plane by 9.82 (5) and 12.82 (4)°. The structure was determined from a crystal twinned by inversion, with refined components in the ratio 0.73 (4):0.27 (4). Anions and cations are connected via hydrogen bonds (N—H⋯O and N—H⋯N) to form a three-dimensional framework. This framework is composed of two different layers parallel to the ab plane, which are built by the ammonium cations on the one hand and the complex cyclic anions on the other. International Union of Crystallography 2012-06-02 /pmc/articles/PMC3393267/ /pubmed/22807824 http://dx.doi.org/10.1107/S1600536812024221 Text en © Finze and Reiss 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 Finze, Maik Reiss, Guido J. Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
title | Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
title_full | Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
title_fullStr | Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
title_full_unstemmed | Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
title_short | Ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
title_sort | ammonium 4,4-difluoro-1,3,2-dithiazetin-2-ide 1,1,3,3-tetraoxide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393267/ https://www.ncbi.nlm.nih.gov/pubmed/22807824 http://dx.doi.org/10.1107/S1600536812024221 |
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