Information card for entry 2229501

Structure parameters

• Chemical name: 5-Bromo-3-(indan-1-yloxy)pyridin-2-amine
• Formula: C14 H13 Br N2 O
• Calculated formula: C14 H13 Br N2 O
• SMILES: Brc1cc(OC2CCc3c2cccc3)c(nc1)N
• Title of publication: 5-Bromo-3-(indan-1-yloxy)pyridin-2-amine
• Authors of publication: Cho-Schultz, Sujin; Kath, John C.; Moore, Curtis; Rheingold, Arnold L.; Yanovsky, Alex
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o650
• a: 11.3944 ± 0.0018 Å
• b: 9.4515 ± 0.0015 Å
• c: 12.438 ± 0.002 Å
• α: 90°
• β: 110.678 ± 0.002°
• γ: 90°
• Cell volume: 1253.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes