Information card for entry 2222693

Structure parameters

• Chemical name: 5-Bromo-<i>N</i>^3^-phenylpyrazine-2,3-diamine
• Formula: C10 H9 Br N4
• Calculated formula: C10 H9 Br N4
• SMILES: Brc1nc(Nc2ccccc2)c(N)nc1
• Title of publication: 5-Bromo-<i>N</i>^3^-phenylpyrazine-2,3-diamine
• Authors of publication: Zhu, Xiaohui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1968
• a: 7.4834 ± 0.0008 Å
• b: 15.4038 ± 0.0017 Å
• c: 9.2079 ± 0.001 Å
• α: 90°
• β: 91.307 ± 0.002°
• γ: 90°
• Cell volume: 1061.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes