Information card for entry 2218336

Structure parameters

• Chemical name: 1-Vinyl-1H-indole-3-carbaldehyde
• Formula: C11 H9 N O
• Calculated formula: C11 H9 N O
• SMILES: O=Cc1c2c(n(c1)C=C)cccc2
• Title of publication: 1-Vinyl-1<i>H</i>-indole-3-carbaldehyde
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1163
• a: 8.32 ± 0.0005 Å
• b: 8.149 ± 0.0005 Å
• c: 13.162 ± 0.0007 Å
• α: 90°
• β: 99.952 ± 0.001°
• γ: 90°
• Cell volume: 878.95 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.127
• 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: Yes