Information card for entry 4500116

Structure parameters

• Formula: C8 H9 N3 O3
• Calculated formula: C8 H9 N3 O3
• Title of publication: Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide
• Authors of publication: Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2074
• a: 12.7022 ± 0.0011 Å
• b: 3.8175 ± 0.0002 Å
• c: 17.3647 ± 0.0016 Å
• α: 90°
• β: 91.632 ± 0.007°
• γ: 90°
• Cell volume: 841.68 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No