Information card for entry 2222382

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylpyridinium 4-chlorobenzenesulfonate
• Formula: C20 H17 Cl2 N O3 S
• Calculated formula: C20 H17 Cl2 N O3 S
• SMILES: S(=O)(=O)([O-])c1ccc(Cl)cc1.Clc1ccc(/C=C/c2[n+](cccc2)C)cc1
• Title of publication: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylpyridinium 4-chlorobenzenesulfonate
• Authors of publication: Fun, Hoong-Kun; Chanawanno, Kullapa; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1554 - o1555
• a: 7.9018 ± 0.0007 Å
• b: 18.5102 ± 0.0017 Å
• c: 12.6818 ± 0.0012 Å
• α: 90°
• β: 93.942 ± 0.007°
• γ: 90°
• Cell volume: 1850.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1534
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes