Information card for entry 1546688

Structure parameters

• Chemical name: 3,5-Dibromo-6-methylpyridin-2-amine
• Formula: C6 H6 Br2 N2
• Calculated formula: C6 H6 Br2 N2
• SMILES: c1(c(cc(c(C)n1)Br)Br)N
• Title of publication: 3,5-Dibromo-6-methylpyridin-2-amine
• Authors of publication: Krishna Murthy, P.; Sreenivasa Rao, R.; Suneetha, V.; Giri, L.; Suchetan, P. A.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170728
• a: 13.1047 ± 0.0016 Å
• b: 4.031 ± 0.0004 Å
• c: 15.7631 ± 0.0018 Å
• α: 90°
• β: 105.72 ± 0.004°
• γ: 90°
• Cell volume: 801.54 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.044
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes