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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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Autor principal: Takahashi, Hiroki
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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
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