Information card for entry 8105939

Structure parameters

• Formula: C12 H9 Br N2
• Calculated formula: C12 H9 Br N2
• Title of publication: Crystal structure of (E)-4-bromo-N-(pyridin-2-ylmethylene)aniline, C12H9BrN2
• Authors of publication: Diko, Nyameka; Zamisa, Sizwe J.; Friedrich, Holger B.; Shozi, Mzamo L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1069 - 1070
• a: 19.2197 ± 0.0012 Å
• b: 4.8579 ± 0.0003 Å
• c: 11.4679 ± 0.0009 Å
• α: 90°
• β: 106.88 ± 0.004°
• γ: 90°
• Cell volume: 1024.6 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0538
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No