Information card for entry 2217787

Structure parameters

• Common name: 4-iodo-2-methylbenzenamine
• Chemical name: 4-Iodo-2-methylaniline
• Formula: C7 H8 I N
• Calculated formula: C7 H8 I N
• SMILES: Ic1ccc(N)c(c1)C
• Title of publication: 4-Iodo-2-methylaniline
• Authors of publication: Luo, Wei; Liu, Rui; Li, Yu-Hao; Chen, Wei; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o591
• a: 5.591 ± 0.0011 Å
• b: 8.941 ± 0.0018 Å
• c: 15.674 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 783.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes