Information card for entry 2014031

Structure parameters

• Chemical name: 2-(phenylaminomethylidene)cyclohexane-1,3-dione
• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• Title of publication: 2-(Phenylaminomethylidene)cyclohexane-1,3-dione
• Authors of publication: Viktor Kettmann; Jan Lokaj; Viktor Milata; Milan Marko; Magdaléna Štvrtecká
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o252 - o254
• a: 5.678 ± 0.002 Å
• b: 8.424 ± 0.003 Å
• c: 12.404 ± 0.005 Å
• α: 100.17 ± 0.03°
• β: 93.85 ± 0.03°
• γ: 107.96 ± 0.04°
• Cell volume: 550.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes