Information card for entry 2202917

Structure parameters

• Common name: (8-quinolyl)urea, 8-ureidoquinoline
• Chemical name: 8-quinolinylurea
• Formula: C10 H9 N3 O
• Calculated formula: C10 H9 N3 O
• SMILES: O=C(Nc1cccc2cccnc12)N
• Title of publication: 8-Quinolinylurea
• Authors of publication: Graham Smith; Urs D. Wermuth; Jonathan M. White
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o972 - o974
• a: 7.1436 ± 0.0008 Å
• b: 8.1394 ± 0.0009 Å
• c: 15.2836 ± 0.0017 Å
• α: 90°
• β: 93.333 ± 0.002°
• γ: 90°
• Cell volume: 887.16 ± 0.17 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: 0.065
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes