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Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile

Three polymorphs of 2,4,6-tri­bromo­benzo­nitrile (RCN), C(7)H(2)Br(3)N, two of which are novel and one of which is a redetermination of the original structure first determined by Carter & Britton [(1972). Acta Cryst. B28, 945–950] are found to be polytypic. Each has a layer structure which diff...

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Autores principales: Britton, Doyle, Noland, Wayland E., Tritch, Kenneth J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770976/
https://www.ncbi.nlm.nih.gov/pubmed/26958382
http://dx.doi.org/10.1107/S2056989016000256
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author Britton, Doyle
Noland, Wayland E.
Tritch, Kenneth J.
author_facet Britton, Doyle
Noland, Wayland E.
Tritch, Kenneth J.
author_sort Britton, Doyle
collection PubMed
description Three polymorphs of 2,4,6-tri­bromo­benzo­nitrile (RCN), C(7)H(2)Br(3)N, two of which are novel and one of which is a redetermination of the original structure first determined by Carter & Britton [(1972). Acta Cryst. B28, 945–950] are found to be polytypic. Each has a layer structure which differs only in the stacking of the layers. Each layer is composed of mol­ecules associated through C≡N⋯Br contacts which form R (2) (2)(10) rings. Two such rings are associated with each N atom; one with each ortho-Br atom. No new polytypes of 1,3,5-tri­bromo-2-iso­cyano­benzene (RNC) were found but a re-determination of the original structure by Carter et al. [(1977). Cryst. Struct. Commun. 6, 543–548] is presented. RNC was found to be isostructural with one of the novel polytypes of RCN. Unit cells were determined for 23 RCN samples and 11 RNC samples. Polytypes could not be distinguished based on crystal habits. In all four structures, each mol­ecule of the asymmetric unit lies across a mirror plane.
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spelling pubmed-47709762016-03-08 Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile Britton, Doyle Noland, Wayland E. Tritch, Kenneth J. Acta Crystallogr E Crystallogr Commun Research Communications Three polymorphs of 2,4,6-tri­bromo­benzo­nitrile (RCN), C(7)H(2)Br(3)N, two of which are novel and one of which is a redetermination of the original structure first determined by Carter & Britton [(1972). Acta Cryst. B28, 945–950] are found to be polytypic. Each has a layer structure which differs only in the stacking of the layers. Each layer is composed of mol­ecules associated through C≡N⋯Br contacts which form R (2) (2)(10) rings. Two such rings are associated with each N atom; one with each ortho-Br atom. No new polytypes of 1,3,5-tri­bromo-2-iso­cyano­benzene (RNC) were found but a re-determination of the original structure by Carter et al. [(1977). Cryst. Struct. Commun. 6, 543–548] is presented. RNC was found to be isostructural with one of the novel polytypes of RCN. Unit cells were determined for 23 RCN samples and 11 RNC samples. Polytypes could not be distinguished based on crystal habits. In all four structures, each mol­ecule of the asymmetric unit lies across a mirror plane. International Union of Crystallography 2016-01-13 /pmc/articles/PMC4770976/ /pubmed/26958382 http://dx.doi.org/10.1107/S2056989016000256 Text en © Britton et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Britton, Doyle
Noland, Wayland E.
Tritch, Kenneth J.
Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
title Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
title_full Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
title_fullStr Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
title_full_unstemmed Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
title_short Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
title_sort two new polytypes of 2,4,6-tri­bromo­benzo­nitrile
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770976/
https://www.ncbi.nlm.nih.gov/pubmed/26958382
http://dx.doi.org/10.1107/S2056989016000256
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