Information card for entry 2225224

Structure parameters

• Chemical name: Guanidinium 4-aminobenzoate
• Formula: C8 H12 N4 O2
• Calculated formula: C8 H12 N4 O2
• SMILES: C(=[NH2+])(N)N.O=C(c1ccc(cc1)N)[O-]
• Title of publication: Guanidinium 4-aminobenzoate
• Authors of publication: Pereira Silva, P. S.; Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o524
• a: 14.9833 ± 0.0004 Å
• b: 8.0602 ± 0.0002 Å
• c: 8.4737 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1023.36 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes