Information card for entry 2233597

Structure parameters

• Chemical name: 2-Methylpyridine‒urea (1/1)
• Formula: C7 H11 N3 O
• Calculated formula: C7 H11 N3 O
• Title of publication: 2-Methylpyridine‒urea (1/1)
• Authors of publication: Ashurov, Jamshid; Ibragimov, Bakhtiyar; Talipov, Samat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o504
• a: 7.471 ± 0.005 Å
• b: 14.916 ± 0.005 Å
• c: 15.338 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1709.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes