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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...

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Autores principales: Shotonwa, Ibukun O., Boeré, René T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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