Information card for entry 2236071

Structure parameters

• Chemical name: 10-(Hydroxyimino)phenanthren-9-one
• Formula: C14 H9 N O2
• Calculated formula: C14 H9 N O2
• SMILES: O/N=C1/C(=O)c2ccccc2c2c1cccc2
• Title of publication: Tautomerism in 10-(hydroxyimino)phenanthren-9-one
• Authors of publication: Patel, Dinesh G.; Benedict, Jason B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2871
• a: 17.4505 ± 0.0015 Å
• b: 3.7875 ± 0.0003 Å
• c: 15.1669 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1002.44 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes