Information card for entry 2200554

Structure parameters

• Common name: N-(3-Pyridyl)urea
• Chemical name: N-(3-Pyridyl)urea
• Formula: C6 H7 N3 O
• Calculated formula: C6 H7 N3 O
• SMILES: O=C(Nc1cnccc1)N
• Title of publication: <i>N</i>-(3-Pyridyl)urea
• Authors of publication: Sumod George; Ashwini Nangia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o719 - o720
• a: 4.8558 ± 0.001 Å
• b: 8.1621 ± 0.0016 Å
• c: 15.919 ± 0.003 Å
• α: 90°
• β: 92.16 ± 0.03°
• γ: 90°
• Cell volume: 630.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes