Information card for entry 2220821

Structure parameters

• Chemical name: 1-(Benzylideneamino)pyridinum iodide
• Formula: C12 H11 I N2
• Calculated formula: C12 H11 I N2
• SMILES: [I-].[n+]1(N=Cc2ccccc2)ccccc1
• Title of publication: 1-(Benzylideneamino)pyridinum iodide
• Authors of publication: Cui, Yong-Tao; Wang, Jian-Qiang; Ji, Chun-Xiang; Wu, Cong-Ren; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o229
• a: 10.5722 ± 0.0017 Å
• b: 7.8219 ± 0.0013 Å
• c: 15.386 ± 0.003 Å
• α: 90°
• β: 108.354 ± 0.002°
• γ: 90°
• Cell volume: 1207.6 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes