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4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination
The structure of the title compound [systematic name: (4-chlorophenyl)(2,4,6-trimethylphenyl)methanone], C(19)H(21)ClO, has been redetermined at 100 K. The redetermination is of significantly higher precision than the previous structure determination at 133 K and reveals disorder of the one of t...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099762/ https://www.ncbi.nlm.nih.gov/pubmed/21754204 http://dx.doi.org/10.1107/S1600536811009639 |
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author | Takahashi, Hiroki |
author_facet | Takahashi, Hiroki |
author_sort | Takahashi, Hiroki |
collection | PubMed |
description | The structure of the title compound [systematic name: (4-chlorophenyl)(2,4,6-trimethylphenyl)methanone], C(19)H(21)ClO, has been redetermined at 100 K. The redetermination is of significantly higher precision than the previous structure determination at 133 K and reveals disorder of the one of the o-ethyl groups [occupancy factors = 0.77 (1) and 0.23 (1)] that was not identified in the previous report [Takahashi & Ito (2010 ▶). CrystEngComm, 12, 1628–1634]. The C—C—C—C torsion angles of the major and minor disorder components of the ethyl group with respect to the attached benzene ring are −103.7 (2) and −172.0 (6)°, respectively. It is of interest that the title compound does not display a single-crystal-to-single-crystal polymorphic phase transition on cooling, as was observed for a closely related compound, a fact that can be attributed to the disorder in the ethyl group. |
format | Text |
id | pubmed-3099762 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30997622011-07-13 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination Takahashi, Hiroki Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound [systematic name: (4-chlorophenyl)(2,4,6-trimethylphenyl)methanone], C(19)H(21)ClO, has been redetermined at 100 K. The redetermination is of significantly higher precision than the previous structure determination at 133 K and reveals disorder of the one of the o-ethyl groups [occupancy factors = 0.77 (1) and 0.23 (1)] that was not identified in the previous report [Takahashi & Ito (2010 ▶). CrystEngComm, 12, 1628–1634]. The C—C—C—C torsion angles of the major and minor disorder components of the ethyl group with respect to the attached benzene ring are −103.7 (2) and −172.0 (6)°, respectively. It is of interest that the title compound does not display a single-crystal-to-single-crystal polymorphic phase transition on cooling, as was observed for a closely related compound, a fact that can be attributed to the disorder in the ethyl group. International Union of Crystallography 2011-03-19 /pmc/articles/PMC3099762/ /pubmed/21754204 http://dx.doi.org/10.1107/S1600536811009639 Text en © Hiroki Takahashi 2011 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 | Organic Papers Takahashi, Hiroki 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
title | 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
title_full | 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
title_fullStr | 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
title_full_unstemmed | 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
title_short | 4-Chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
title_sort | 4-chloro-2′,4′,6′-triethylbenzophenone: a redetermination |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099762/ https://www.ncbi.nlm.nih.gov/pubmed/21754204 http://dx.doi.org/10.1107/S1600536811009639 |
work_keys_str_mv | AT takahashihiroki 4chloro246triethylbenzophenonearedetermination |