Information card for entry 4500117

Structure parameters

• Formula: C8 H11 N3 O4
• Calculated formula: C8 H11 N3 O4
• 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: 22.6561 ± 0.0014 Å
• b: 11.7274 ± 0.0007 Å
• c: 7.3264 ± 0.0004 Å
• α: 90°
• β: 102.933 ± 0.005°
• γ: 90°
• Cell volume: 1897.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No