Information card for entry 2228377

Structure parameters

• Common name: carbazole
• Chemical name: 1-(1-Hydroxy-8-methyl-9<i>H</i>-carbazol-2-yl)ethanone
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: Oc1c(ccc2c3cccc(c3[nH]c12)C)C(=O)C
• Title of publication: 1-(1-Hydroxy-8-methyl-9<i>H</i>-carbazol-2-yl)ethanone
• Authors of publication: Archana, R.; Prabakaran, K.; 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: 12
• Pages of publication: o3146
• a: 7.4602 ± 0.0002 Å
• b: 12.7353 ± 0.0003 Å
• c: 24.9325 ± 0.0005 Å
• α: 90°
• β: 92.319 ± 0.002°
• γ: 90°
• Cell volume: 2366.84 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes