Information card for entry 8105693

Structure parameters

• Formula: C10 H6 Br Cl2 N3
• Calculated formula: C10 H6 Br Cl2 N3
• Title of publication: Crystal structure of N-(4-bromo-2,6-dichloro-phenyl)pyrazin-2-amine, C10H6BrCl2N3
• Authors of publication: Zhu, Zhoujing; Liu, Bin; Xu, Xiaona
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 347 - 349
• a: 9.2229 ± 0.0013 Å
• b: 14.709 ± 0.002 Å
• c: 8.6472 ± 0.0013 Å
• α: 90°
• β: 104.851 ± 0.003°
• γ: 90°
• Cell volume: 1133.9 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No