Information card for entry 2237767

Structure parameters

• Common name: 4-(4-Bromostyryl)-1-methylpyridinium tosylate
• Chemical name: 4-[2-(4-Bromophenyl)ethenyl]-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate
• Formula: C21 H20 Br N O3 S
• Calculated formula: C21 H20 Br N O3 S
• Title of publication: 4-(4-Bromostyryl)-1-methylpyridinium tosylate
• Authors of publication: Kumar, M. Krishna; Sudhahar, S.; Sornamurthy, B. M.; Chakkaravarthi, G.; Kumar, R. Mohan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o694
• a: 9.0502 ± 0.0002 Å
• b: 6.4201 ± 0.0001 Å
• c: 33.928 ± 0.0007 Å
• α: 90°
• β: 94.469 ± 0.001°
• γ: 90°
• Cell volume: 1965.33 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes