Information card for entry 2222879

Structure parameters

• Common name: 2-[(<i>E</i>)-2-(4-chlorophenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate
• Chemical name: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate
• Formula: C20 H17 Br Cl N O3 S
• Calculated formula: C20 H17 Br Cl N O3 S
• SMILES: Brc1ccc(S(=O)(=O)[O-])cc1.Clc1ccc(/C=C/c2[n+](cccc2)C)cc1
• Title of publication: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate
• Authors of publication: Chantrapromma, Suchada; Chanawanno, Kullapa; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1884 - o1885
• a: 7.9476 ± 0.0001 Å
• b: 18.6099 ± 0.0003 Å
• c: 12.7173 ± 0.0002 Å
• α: 90°
• β: 93.467 ± 0.001°
• γ: 90°
• Cell volume: 1877.5 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes