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3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III)
The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings]. The [FeBr(4)](−) ani...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569193/ https://www.ncbi.nlm.nih.gov/pubmed/23424437 http://dx.doi.org/10.1107/S1600536813000275 |
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author | Shotonwa, Ibukun O. Boeré, René T. |
author_facet | Shotonwa, Ibukun O. Boeré, René T. |
author_sort | Shotonwa, Ibukun O. |
collection | PubMed |
description | The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings]. The [FeBr(4)](−) anion makes short Br⋯S contacts [Br⋯S = 3.4819 (8), 3.6327 (9) and 3.5925 (9) Å] and also bridges by way of short contacts to ring H atoms of a second cation held parallel to the first by π-stacking, with a separation between the mean 1,2,4-dithiazolium rings of 3.409 Å. The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å. The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bisector of a and c. |
format | Online Article Text |
id | pubmed-3569193 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35691932013-02-19 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) Shotonwa, Ibukun O. Boeré, René T. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The cation of the title salt, (C(14)H(10)NS(2))[FeBr(4)], contains a flat central NC(2)S(2) ring (r.m.s. deviation = 0.005 Å), with two attached phenyl rings that are almost coplanar [the dihedral angles between the mean planes are 2.4 (1) and 7.7 (1)° for the two phenyl rings]. The [FeBr(4)](−) anion makes short Br⋯S contacts [Br⋯S = 3.4819 (8), 3.6327 (9) and 3.5925 (9) Å] and also bridges by way of short contacts to ring H atoms of a second cation held parallel to the first by π-stacking, with a separation between the mean 1,2,4-dithiazolium rings of 3.409 Å. The closest contacts are between a phenyl ring centroid of one cation and the ipso C atom of the phenyl ring of another cation, for which the distance is 3.489 Å. The discrete dimers are linked laterally by further Br⋯H short contacts, resulting in double sheets located parallel to the b axis and to the bisector of a and c. International Union of Crystallography 2013-01-12 /pmc/articles/PMC3569193/ /pubmed/23424437 http://dx.doi.org/10.1107/S1600536813000275 Text en © Shotonwa and Boeré 2013 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 | Metal-Organic Papers Shotonwa, Ibukun O. Boeré, René T. 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) |
title | 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) |
title_full | 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) |
title_fullStr | 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) |
title_full_unstemmed | 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) |
title_short | 3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III) |
title_sort | 3,5-diphenyl-1,2,4-dithiazolium tetrabromidoferrate(iii) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569193/ https://www.ncbi.nlm.nih.gov/pubmed/23424437 http://dx.doi.org/10.1107/S1600536813000275 |
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