Information card for entry 1543461

Structure parameters

• Chemical name: (<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime
• Formula: C8 H10 N2 O
• Calculated formula: C8 H10 N2 O
• SMILES: c1(ccncc1)C(=N\O)\CC
• Title of publication: (<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime
• Authors of publication: Eitel, Michael; Schollmeyer, Dieter; Koch, Pierre
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160803
• a: 7.9149 ± 0.0003 Å
• b: 9.3676 ± 0.0004 Å
• c: 21.6431 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1604.7 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes