Information card for entry 4325243

Structure parameters

• Common name: 4-Methoxybenzamidine
• Chemical name: N,N,N'-4-Methoxybenzamidine
• Formula: C8 H10 N2 O
• Calculated formula: C8 H10 N2 O
• SMILES: O(c1ccc(C(=N)N)cc1)C
• Title of publication: Unsymmetrical 1λ3-1,2,4,6-Thiatriazinyls with Aryl and Trifluoromethyl Substituents: Synthesis, Crystal Structures, EPR Spectroscopy, and Voltammetry
• Authors of publication: René T. Boeré; Tracey L. Roemmele; Xin Yu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5123 - 5136
• a: 5.005 ± 0.01 Å
• b: 10.15 ± 0.02 Å
• c: 15.54 ± 0.03 Å
• α: 86.58 ± 0.02°
• β: 87.4 ± 0.02°
• γ: 79.77 ± 0.02°
• Cell volume: 775 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101 kPa
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No