Information card for entry 8105692

Structure parameters

• Formula: C12 H9 Br Cl N O
• Calculated formula: C12 H9 Br Cl N O
• Title of publication: Crystal structure of 2-(4-bromobenzyloxy)-6-chloropyridine, C12H9BrClNO
• Authors of publication: Lu, Zhi-Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 345 - 346
• a: 4.3665 ± 0.0003 Å
• b: 22.5576 ± 0.0017 Å
• c: 12.1286 ± 0.001 Å
• α: 90°
• β: 99.028 ± 0.007°
• γ: 90°
• Cell volume: 1179.84 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1288
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No