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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4770976 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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