Information card for entry 2011710

Structure parameters

• Chemical name: 1-Methylindole-3-carboxyaldehyde oxime
• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: c1ccc2c(c1)c(cn2C)/C=N\O
• Title of publication: 1-Methylindole-3-carboxaldehyde oxime derivatives
• Authors of publication: Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 58 - 61
• a: 13.462 ± 0.004 Å
• b: 5.079 ± 0.004 Å
• c: 14.127 ± 0.004 Å
• α: 90 ± 0.04°
• β: 111.53 ± 0.04°
• γ: 90 ± 0.04°
• Cell volume: 898.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No