Information card for entry 8105556

Structure parameters

• Formula: C15 H10 Br N
• Calculated formula: C15 H10 Br N
• Title of publication: Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN
• Authors of publication: Li, Hong-Mei; Wang, Hao-Feng; Sun, Bei-Jing; Lou, Xin-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 103 - 104
• a: 14.6929 ± 0.0009 Å
• b: 5.9337 ± 0.0004 Å
• c: 14.6256 ± 0.0011 Å
• α: 90°
• β: 113.521 ± 0.008°
• γ: 90°
• Cell volume: 1169.16 ± 0.16 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: 0.0522
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No