Information card for entry 2237222

Structure parameters

• Chemical name: 4-Methoxybenzamidinium bromide
• Formula: C8 H11 Br N2 O
• Calculated formula: C8 H11 Br N2 O
• SMILES: [Br-].O(c1ccc(cc1)C(=[NH2+])N)C
• Title of publication: 4-Methoxybenzamidinium bromide
• Authors of publication: Irrera, Simona; Portalone, Gustavo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o56
• a: 7.5657 ± 0.0006 Å
• b: 10.8711 ± 0.0007 Å
• c: 11.5419 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 949.29 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes