Information card for entry 8105582

Structure parameters

• Formula: C19 H16 Br I N2
• Calculated formula: C19 H16 Br I N2
• Title of publication: Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16BrIN2
• Authors of publication: Zou, Long-Sheng; Yuan, Xian-You
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 185 - 186
• a: 7.3409 ± 0.0017 Å
• b: 18.494 ± 0.004 Å
• c: 12.905 ± 0.003 Å
• α: 90°
• β: 93.372 ± 0.003°
• γ: 90°
• Cell volume: 1749 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0241
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No