Information card for entry 1519804

Structure parameters

• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: C(=O)(c1cc2c(ccn2C)cc1)O
• Title of publication: 1-Methyl-1H-indole-6-carboxylic acid
• Authors of publication: Huth, Susanne L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 368
• a: 7.3989 ± 0.0003 Å
• b: 11.2007 ± 0.0004 Å
• c: 20.2402 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.36 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No