Information card for entry 1573539

Structure parameters

• Common name: 3-Iodoaniline
• Chemical name: 3-Iodoaniline
• Formula: C6 H6 I N
• Calculated formula: C6 H6 I N
• Title of publication: 3-Iodoaniline
• Authors of publication: Slamang, Ferhan; Hosten, Eric Cyriel; Betz, Richard
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 12
• Pages of publication: x241226
• a: 5.0748 ± 0.0003 Å
• b: 12.9872 ± 0.0008 Å
• c: 20.6243 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1359.29 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No