Information card for entry 2219044

Structure parameters

• Chemical name: 1-(4-Methylbenzylideneamino)pyridinium iodide
• Formula: C13 H13 I N2
• Calculated formula: C13 H13 I N2
• SMILES: [I-].[n+]1(N=Cc2ccc(C)cc2)ccccc1
• Title of publication: 1-(4-Methylbenzylideneamino)pyridinium iodide
• Authors of publication: Cui, Yong-Tao; Ji, Chun-Xiang; You, Wei; Sun, Jia-Sen; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1506
• a: 7.169 ± 0.0014 Å
• b: 12.399 ± 0.003 Å
• c: 15.026 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes