Information card for entry 8105873

Structure parameters

• Formula: C13 H23 I N2
• Calculated formula: C13 H23 I N2
• Title of publication: Crystal structure of 1-nonylpyridazin-1-ium iodide, C13H23N2I
• Authors of publication: Said, Musa A.; Hughes, David L.; Almutairi, Saud M.; Aouad, Mohamed Reda; Messali, Mouslim
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 857 - 859
• a: 5.6693 ± 0.0003 Å
• b: 8.9457 ± 0.0004 Å
• c: 16.2919 ± 0.0007 Å
• α: 83.341 ± 0.004°
• β: 89.534 ± 0.004°
• γ: 82.491 ± 0.004°
• Cell volume: 813.63 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No