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4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K

The title compound, C(11)H(13)NO(2)Si, is a low-temperature form of the previously reported room-temperature structure [Garcia et al. (1998 ▶). Acta Cryst. C54, 489–491]. At 298 K, the material crystallizes in the space group Pnma and occupies a crystallographic mirror plane, but at 100 K the space...

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Autores principales: Millican, Jasmine N., Fronczek, Frank R., Watkins, Steve F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435679/
https://www.ncbi.nlm.nih.gov/pubmed/22969550
http://dx.doi.org/10.1107/S1600536812034034
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author Millican, Jasmine N.
Fronczek, Frank R.
Watkins, Steve F.
author_facet Millican, Jasmine N.
Fronczek, Frank R.
Watkins, Steve F.
author_sort Millican, Jasmine N.
collection PubMed
description The title compound, C(11)H(13)NO(2)Si, is a low-temperature form of the previously reported room-temperature structure [Garcia et al. (1998 ▶). Acta Cryst. C54, 489–491]. At 298 K, the material crystallizes in the space group Pnma and occupies a crystallographic mirror plane, but at 100 K the space group changes to P2(1)2(1)2(1), the volume decreases by 5% and the mol­ecule distorts. The greatest mol­ecular distortions from C (s) symmetry are rotations of the trimethyl­silyl and nitro groups by 10.56 (8) and 11.47 (9)°, respectively, to the benzene mean plane. At low temperature, the crystal also becomes an inversion twin, the refined ratio of the twin components being 0.35 (15):0.65 (15).
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spelling pubmed-34356792012-09-11 4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K Millican, Jasmine N. Fronczek, Frank R. Watkins, Steve F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(13)NO(2)Si, is a low-temperature form of the previously reported room-temperature structure [Garcia et al. (1998 ▶). Acta Cryst. C54, 489–491]. At 298 K, the material crystallizes in the space group Pnma and occupies a crystallographic mirror plane, but at 100 K the space group changes to P2(1)2(1)2(1), the volume decreases by 5% and the mol­ecule distorts. The greatest mol­ecular distortions from C (s) symmetry are rotations of the trimethyl­silyl and nitro groups by 10.56 (8) and 11.47 (9)°, respectively, to the benzene mean plane. At low temperature, the crystal also becomes an inversion twin, the refined ratio of the twin components being 0.35 (15):0.65 (15). International Union of Crystallography 2012-08-08 /pmc/articles/PMC3435679/ /pubmed/22969550 http://dx.doi.org/10.1107/S1600536812034034 Text en © Millican et al. 2012 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
Millican, Jasmine N.
Fronczek, Frank R.
Watkins, Steve F.
4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K
title 4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K
title_full 4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K
title_fullStr 4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K
title_full_unstemmed 4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K
title_short 4-Nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 K
title_sort 4-nitro-1-[(trimethyl­sil­yl)ethyn­yl]benzene: low-temperature polymorph at 100 k
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435679/
https://www.ncbi.nlm.nih.gov/pubmed/22969550
http://dx.doi.org/10.1107/S1600536812034034
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