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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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Detalles Bibliográficos
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
Descripción
Sumario: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).