Information card for entry 2214730

Structure parameters

• Common name: 4-iodo-2,6-dimethylaniline
• Chemical name: 4-iodo-2,6-dimethylaniline
• Formula: C8 H10 I N
• Calculated formula: C8 H10 I N
• SMILES: Ic1cc(C)c(N)c(C)c1
• Title of publication: 4-Iodo-2,6-dimethylaniline
• Authors of publication: Rui Liu; Yu-Hao Li; Shan Liu; Shui-Ping Deng; Hong-Jun Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3542 - o3542
• a: 4.841 ± 0.001 Å
• b: 11.389 ± 0.002 Å
• c: 16.128 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 889.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes