Information card for entry 8106690

Structure parameters

• Formula: C19 H16 Cl I N2
• Calculated formula: C19 H16 Cl I N2
• Title of publication: Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16ClIN2
• Authors of publication: Li, Zhong-Yan; Yuan, Lin; Yuan, Xian-You; Zhang, Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 821 - 822
• a: 7.3359 ± 0.0011 Å
• b: 18.424 ± 0.003 Å
• c: 12.8968 ± 0.0019 Å
• α: 90°
• β: 93.23 ± 0.002°
• γ: 90°
• Cell volume: 1740.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0231
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No