Information card for entry 8106280

Structure parameters

• Formula: C11 H19 I N2
• Calculated formula: C11 H19 I N2
• Title of publication: Crystal structure of 1-heptylpyridazin-1-ium iodide, C11H19N2I
• Authors of publication: Said, Musa A.; Aouad, Mohamed R.; Almutairi, Saud M.; Hughes, David L.; Messali, Mouslim
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 739 - 741
• a: 5.7074 ± 0.0003 Å
• b: 8.9811 ± 0.0005 Å
• c: 14.4312 ± 0.0008 Å
• α: 100.989 ± 0.004°
• β: 94.768 ± 0.004°
• γ: 97.327 ± 0.004°
• Cell volume: 715.83 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.047
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No