Information card for entry 8104918

Structure parameters

• Common name: 3-ammonio-4-aminobenzoate
• Chemical name: 3-ammonio-4-aminobenzoate
• Formula: C7 H8 N2 O2
• Calculated formula: C7 H8 N2 O2
• Title of publication: The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 187 - 188
• a: 8.9884 ± 0.0006 Å
• b: 6.049 ± 0.0004 Å
• c: 12.129 ± 0.0008 Å
• α: 90°
• β: 95.4 ± 0.002°
• γ: 90°
• Cell volume: 656.54 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No