Information card for entry 2242359

Structure parameters

• Common name: 4-Aminobenzenaminium 5-carboxypentanoate
• Chemical name: 4-Aminoanilinium 5-carboxypentanoate
• Formula: C12 H18 N2 O4
• Calculated formula: C12 H18 N2 O4
• Title of publication: Crystal structure of a new molecular salt: 4-aminobenzenaminium 5-carboxypentanoate
• Authors of publication: Mishra, Risha; Rangan, Krishnan; Pallepogu, Raghavaiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 201 - 205
• a: 5.2918 ± 0.0003 Å
• b: 7.1666 ± 0.0004 Å
• c: 8.4205 ± 0.0007 Å
• α: 92.069 ± 0.006°
• β: 104.165 ± 0.006°
• γ: 97.172 ± 0.005°
• Cell volume: 306.47 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No