Information card for entry 2236766

Structure parameters

• Chemical name: 5-Methyl-1<i>H</i>-indole-3-carbaldehyde
• Formula: C10 H9 N O
• Calculated formula: C10 H9 N O
• SMILES: O=Cc1c[nH]c2c1cc(cc2)C
• Title of publication: 5-Methyl-1<i>H</i>-indole-3-carbaldehyde
• Authors of publication: Ismail, Sharifah Shafiqah; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2691
• a: 16.9456 ± 0.0019 Å
• b: 5.7029 ± 0.0006 Å
• c: 8.6333 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 834.31 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes