Information card for entry 2219635

Structure parameters

• Common name: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolinium iodide monohydrate
• Chemical name: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylpyridinium iodide monohydrate
• Formula: C14 H15 Cl I N O
• Calculated formula: C14 H15 Cl I N O
• SMILES: [I-].Clc1ccc(/C=C/c2[n+](cccc2)C)cc1.O
• Title of publication: 2-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-1-methylpyridinium iodide monohydrate
• Authors of publication: Chanawanno, Kullapa; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1882 - o1883
• a: 7.0876 ± 0.0001 Å
• b: 9.8096 ± 0.0002 Å
• c: 21.094 ± 0.0004 Å
• α: 90°
• β: 95.147 ± 0.001°
• γ: 90°
• Cell volume: 1460.68 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0497
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes