An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]

9,9′-(2,5-Dibromo-1,4-phenylene)bis[9H-carbazole] (1) crystallizes as a category I order–disorder (OD) structure composed of non-polar layers of one kind with B2/m(1)1 layer symmetry. The crystals are made up of the two polytypes with a maximum degree of order (MDO). The monoclinic MDO(1) polytype (...

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Autores principales: Kautny, Paul, Schwartz, Thomas, Stöger, Berthold, Fröhlich, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5289307/
http://dx.doi.org/10.1107/S2052520616018291
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author Kautny, Paul
Schwartz, Thomas
Stöger, Berthold
Fröhlich, Johannes
author_facet Kautny, Paul
Schwartz, Thomas
Stöger, Berthold
Fröhlich, Johannes
author_sort Kautny, Paul
collection PubMed
description 9,9′-(2,5-Dibromo-1,4-phenylene)bis[9H-carbazole] (1) crystallizes as a category I order–disorder (OD) structure composed of non-polar layers of one kind with B2/m(1)1 layer symmetry. The crystals are made up of the two polytypes with a maximum degree of order (MDO). The monoclinic MDO(1) polytype (B2(1)/d) possesses an orthorhombic B-centered lattice and appears in two orientations, which are related by reflection at (100). The orthorhombic MDO(2) polytype (F2dd) has a doubled b-axis and appears in two orientations, which are related by inversion. The crystal structures of both polytypes were determined in a concurrent refinement. The MDO(1):MDO(2) ratio is 69:31.
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spelling pubmed-52893072017-02-10 An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole] Kautny, Paul Schwartz, Thomas Stöger, Berthold Fröhlich, Johannes Acta Crystallogr B Struct Sci Cryst Eng Mater Research Papers 9,9′-(2,5-Dibromo-1,4-phenylene)bis[9H-carbazole] (1) crystallizes as a category I order–disorder (OD) structure composed of non-polar layers of one kind with B2/m(1)1 layer symmetry. The crystals are made up of the two polytypes with a maximum degree of order (MDO). The monoclinic MDO(1) polytype (B2(1)/d) possesses an orthorhombic B-centered lattice and appears in two orientations, which are related by reflection at (100). The orthorhombic MDO(2) polytype (F2dd) has a doubled b-axis and appears in two orientations, which are related by inversion. The crystal structures of both polytypes were determined in a concurrent refinement. The MDO(1):MDO(2) ratio is 69:31. International Union of Crystallography 2017-01-31 /pmc/articles/PMC5289307/ http://dx.doi.org/10.1107/S2052520616018291 Text en © Paul Kautny et al. 2017 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 Papers
Kautny, Paul
Schwartz, Thomas
Stöger, Berthold
Fröhlich, Johannes
An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]
title An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]
title_full An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]
title_fullStr An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]
title_full_unstemmed An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]
title_short An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]
title_sort unusual case of od-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9h-carbazole]
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5289307/
http://dx.doi.org/10.1107/S2052520616018291
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