Information card for entry 2236237

Structure parameters

• Chemical name: 1<i>H</i>-Indole-3-carbaldehyde
• Formula: C9 H7 N O
• Calculated formula: C9 H7 N O
• SMILES: C(=O)c1c[nH]c2ccccc12
• Title of publication: 1<i>H</i>-Indole-3-carbaldehyde
• Authors of publication: Dileep, C. S.; Abdoh, M. M. M.; Chakravarthy, M. P.; Mohana, K. N.; Sridhar, M. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3135
• a: 14.0758 ± 0.0009 Å
• b: 5.8059 ± 0.0004 Å
• c: 8.6909 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 710.24 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes