Information card for entry 2227728

Structure parameters

• Common name: carbazole
• Chemical name: 8-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• SMILES: O=C1CCCc2c3cccc(c3[nH]c12)C
• Title of publication: 8-Methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Authors of publication: Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2299 - o2300
• a: 10.5245 ± 0.0002 Å
• b: 7.1564 ± 0.0001 Å
• c: 13.587 ± 0.0003 Å
• α: 90°
• β: 93.96 ± 0.002°
• γ: 90°
• Cell volume: 1020.9 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes