Information card for entry 2218531

Structure parameters

• Chemical name: 8-Bromonaphthalen-1-amine
• Formula: C10 H8 Br N
• Calculated formula: C10 H8 Br N
• SMILES: Brc1cccc2cccc(N)c12
• Title of publication: 8-Bromonaphthalen-1-amine
• Authors of publication: Fuller, Amy L.; Knight, Fergus R.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o977
• a: 13.6692 ± 0.0014 Å
• b: 4.1579 ± 0.0004 Å
• c: 15.8256 ± 0.0016 Å
• α: 90°
• β: 109.941 ± 0.003°
• γ: 90°
• Cell volume: 845.52 ± 0.15 ų
• Cell temperature: 125.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes