Information card for entry 2234605

Structure parameters

• Chemical name: 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride
• Formula: C10 H14 Cl N3
• Calculated formula: C10 H14 Cl N3
• Title of publication: 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride
• Authors of publication: Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Kovačević, Goran; Bajić, Miroslav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1360
• a: 15.0055 ± 0.0002 Å
• b: 8.0884 ± 0.0001 Å
• c: 17.8088 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2161.46 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes