Information card for entry 2011711

Structure parameters

• Chemical name: (E)-5-Methoxy-1-Methylindole-3-carboxyaldehyde oxime
• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: COc1ccc2c(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: 8.2351 ± 0.0002 Å
• b: 15.8892 ± 0.0007 Å
• c: 17.807 ± 0.0011 Å
• α: 71.148 ± 0.004°
• β: 81.245 ± 0.004°
• γ: 75.124 ± 0.003°
• Cell volume: 2125.02 ± 0.18 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: 0.11
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No