Information card for entry 2222918

Structure parameters

• Common name: carbazolone
• Chemical name: 3-Methyl-3,4-dihydro-9<i>H</i>-carbazol-1(2<i>H</i>)-one
• Formula: C13 H13 N O
• Calculated formula: C13 H13 N O
• Title of publication: 3-Methyl-3,4-dihydro-9<i>H</i>-carbazol-1(2<i>H</i>)-one
• Authors of publication: Thomas Gunaseelan, A.; Prabakaran, K.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1946 - o1947
• a: 5.8301 ± 0.0003 Å
• b: 8.4348 ± 0.0005 Å
• c: 10.8 ± 0.0007 Å
• α: 78.094 ± 0.005°
• β: 75.942 ± 0.005°
• γ: 87.166 ± 0.005°
• Cell volume: 504.11 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes