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A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one
The crystal structure determination based on 90 K data of the title imine ligand, C(18)H(10)ClNO, revealed non-merohedral twinning with three twin domains. In our experience, this is an indication of an ordering phase transition. Consequently, the structure was redetermined with higher temperature d...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598860/ https://www.ncbi.nlm.nih.gov/pubmed/28932448 http://dx.doi.org/10.1107/S2056989017010659 |
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author | Bao, Lipiao Olmstead, Marilyn M. |
author_facet | Bao, Lipiao Olmstead, Marilyn M. |
author_sort | Bao, Lipiao |
collection | PubMed |
description | The crystal structure determination based on 90 K data of the title imine ligand, C(18)H(10)ClNO, revealed non-merohedral twinning with three twin domains. In our experience, this is an indication of an ordering phase transition. Consequently, the structure was redetermined with higher temperature data, and a reversible phase transition was discovered. The higher temperature phase is indeed an ordered structure. At the higher temperature, the 4-chlorophenyl group has rotated by ca 7° into a crystallographic mirror plane. Warming the crystal from 90 K to 250 K changes the space group from triclinic P-1, to monoclinic P2(1)/m. Diverse non-classical interactions are present in the crystal packing, and these are described for the phase change reported in this work. The crystal structure of the title imine ligand, measured at 100 K, has been reported on previously [Kovach et al. (2011 ▸). J. Mol. Struct. 992, 33–38]. |
format | Online Article Text |
id | pubmed-5598860 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-55988602017-09-20 A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one Bao, Lipiao Olmstead, Marilyn M. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure determination based on 90 K data of the title imine ligand, C(18)H(10)ClNO, revealed non-merohedral twinning with three twin domains. In our experience, this is an indication of an ordering phase transition. Consequently, the structure was redetermined with higher temperature data, and a reversible phase transition was discovered. The higher temperature phase is indeed an ordered structure. At the higher temperature, the 4-chlorophenyl group has rotated by ca 7° into a crystallographic mirror plane. Warming the crystal from 90 K to 250 K changes the space group from triclinic P-1, to monoclinic P2(1)/m. Diverse non-classical interactions are present in the crystal packing, and these are described for the phase change reported in this work. The crystal structure of the title imine ligand, measured at 100 K, has been reported on previously [Kovach et al. (2011 ▸). J. Mol. Struct. 992, 33–38]. International Union of Crystallography 2017-07-25 /pmc/articles/PMC5598860/ /pubmed/28932448 http://dx.doi.org/10.1107/S2056989017010659 Text en © Bao and Olmstead 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 Communications Bao, Lipiao Olmstead, Marilyn M. A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
title | A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
title_full | A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
title_fullStr | A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
title_full_unstemmed | A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
title_short | A temperature-dependent phase transformation of (E)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
title_sort | temperature-dependent phase transformation of (e)-2-[(4-chlorophenyl)imino]acenaphthylen-1-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598860/ https://www.ncbi.nlm.nih.gov/pubmed/28932448 http://dx.doi.org/10.1107/S2056989017010659 |
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