Information card for entry 2238868

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridinium iodide
• Formula: C15 H16 I N O
• Calculated formula: C15 H16 I N O
• SMILES: c1cccc(/C=C/c2ccc(cc2)OC)[n+]1C.[I-]
• Title of publication: 2-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridinium iodide
• Authors of publication: Senthil, K.; Kalainathan, S.; RubanKumar, A.; Ramkumar, V.; Podder, Jiban
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1848
• a: 7.176 ± 0.0003 Å
• b: 8.6895 ± 0.0004 Å
• c: 12.1555 ± 0.0006 Å
• α: 92.645 ± 0.002°
• β: 92.115 ± 0.002°
• γ: 103.781 ± 0.002°
• Cell volume: 734.47 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No