Information card for entry 2236572

Structure parameters

• Chemical name: 4-Methoxybenzamidinium chloride monohydrate
• Formula: C8 H13 Cl N2 O2
• Calculated formula: C8 H13 Cl N2 O2
• SMILES: [Cl-].O(c1ccc(cc1)C(=[NH2+])N)C.O
• Title of publication: 4-Methoxybenzamidinium chloride monohydrate
• Authors of publication: Irrera, Simona; Portalone, Gustavo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3083
• a: 11.3029 ± 0.0007 Å
• b: 9.3142 ± 0.0005 Å
• c: 9.9983 ± 0.0006 Å
• α: 90°
• β: 99.82 ± 0.006°
• γ: 90°
• Cell volume: 1037.17 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes