Information card for entry 2243870

Structure parameters

• Common name: 9H-carbazole
• Chemical name: 1-Hydroxy-8-methyl-9<i>H</i>-carbazole-2-carbaldehyde
• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: Cc1cccc2c1[nH]c1c(c(ccc21)C=O)O
• Title of publication: Synthesis and crystal structure of 1-hydroxy-8-methyl-9<i>H</i>-carbazole-2-carbaldehyde
• Authors of publication: Thiruvalluvar, Aravazhi Amalan; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 28.29 ± 0.005 Å
• b: 3.9052 ± 0.0007 Å
• c: 20.264 ± 0.003 Å
• α: 90°
• β: 105.817 ± 0.002°
• γ: 90°
• Cell volume: 2154 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes