Information card for entry 8104692

Structure parameters

• Formula: C6 H10 I N3 O3
• Calculated formula: C6 H10 I N3 O3
• Title of publication: The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2
• Authors of publication: Du, Chao-Jun; Niu, De-Long; Zheng, Shi-Li; Zeng, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 725 - 726
• a: 7.0704 ± 0.0003 Å
• b: 15.7781 ± 0.0006 Å
• c: 9.1495 ± 0.0004 Å
• α: 90°
• β: 112.114 ± 0.001°
• γ: 90°
• Cell volume: 945.61 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No