Information card for entry 2220820

Structure parameters

• Chemical name: 1-(4-Chlorobenzylideneamino)pyridinum iodide
• Formula: C12 H10 Cl I N2
• Calculated formula: C12 H10 Cl I N2
• SMILES: [I-].Clc1ccc(C=N[n+]2ccccc2)cc1
• Title of publication: 1-(4-Chlorobenzylideneamino)pyridinum iodide
• Authors of publication: Cui, Yong-Tao; Wang, Jian-Qiang; Ji, Chun-Xiang; Wang, Hai-Bo; Cheng, Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o228
• a: 6.5105 ± 0.0014 Å
• b: 7.1748 ± 0.0015 Å
• c: 14.223 ± 0.003 Å
• α: 76.893 ± 0.003°
• β: 79.183 ± 0.003°
• γ: 80.753 ± 0.003°
• Cell volume: 630.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes