Cargando…
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: | , , |
---|---|
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 |
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). |
---|