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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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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). |
format | Online Article Text |
id | pubmed-3435679 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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
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title_full | 4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100 K
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title_fullStr | 4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100 K
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title_full_unstemmed | 4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100 K
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title_short | 4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100 K
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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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