Information card for entry 1520460

Structure parameters

• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• SMILES: C1(=O)/C(=C/c2ccc(cc2)C)c2ccccc2N1
• Title of publication: Methyl oxindole
• Authors of publication: Onyeabo, Romanus O.; Edwards, Mark; Spencer, John; Tizzard, Graham J.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2010
• Pages of publication: 1324
• a: 8.1168 ± 0.0004 Å
• b: 9.2556 ± 0.0004 Å
• c: 9.3927 ± 0.0003 Å
• α: 62.29 ± 0.002°
• β: 80.933 ± 0.003°
• γ: 72.18 ± 0.002°
• Cell volume: 594.64 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No