Information card for entry 2213682

Structure parameters

• Chemical name: Guanidinium benzoate
• Formula: C8 H11 N3 O2
• Calculated formula: C8 H11 N3 O2
• SMILES: C(=[NH2+])(N)N.C(=O)(c1ccccc1)[O-]
• Title of publication: Guanidinium benzoate
• 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: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2783 - o2783
• a: 15.7347 ± 0.0008 Å
• b: 8.1216 ± 0.0004 Å
• c: 7.8885 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1008.08 ± 0.09 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: 0.0508
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes