Information card for entry 2218022

Structure parameters

• Common name: carbazol derivative
• Chemical name: 6‒Methoxy‒2,3,4,9‒tetrahydro‒1H‒carbazol‒1‒one
• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• SMILES: O=C1CCCc2c3cc(OC)ccc3[nH]c12
• Title of publication: 6-Methoxy-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Authors of publication: Sridharan, M.; Prasad, K. J. Rajendra; Gunaseelan, A. Thomas; Thiruvalluvar, A.; Linden, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o763 - o764
• a: 9.0627 ± 0.0002 Å
• b: 14.0285 ± 0.0003 Å
• c: 8.5506 ± 0.0002 Å
• α: 90°
• β: 101.815 ± 0.001°
• γ: 90°
• Cell volume: 1064.06 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0552
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes