Information card for entry 2219106

Structure parameters

• Chemical name: 2-[(6-Bromo-2-pyridyl)amino]pyridine N-oxide
• Formula: C10 H8 Br N3 O
• Calculated formula: C10 H8 Br N3 O
• SMILES: Brc1cccc(n1)Nc1ccccn1=O
• Title of publication: 2-[(6-Bromo-2-pyridyl)amino]pyridine <i>N</i>-oxide
• Authors of publication: Chen, Yun-Hua; Liu, Yin-Qiu; Zeng, Xi-Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1557
• a: 13.402 ± 0.003 Å
• b: 5.3016 ± 0.001 Å
• c: 14.562 ± 0.003 Å
• α: 90°
• β: 103.498 ± 0.003°
• γ: 90°
• Cell volume: 1006.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes