Information card for entry 2219124

Structure parameters

• Chemical name: (<i>E</i>)-6-Methoxy-9-methyl-1,2,3,4-tetrahydro-9H-carbazol-4-one oxime
• Formula: C14 H16 N2 O2
• Calculated formula: C14 H16 N2 O2
• SMILES: O/N=C/1CCCc2c1c1cc(OC)ccc1n2C
• Title of publication: (<i>E</i>)-6-Methoxy-9-methyl-1,2,3,4-tetrahydro-9<i>H</i>-carbazol-4-one oxime
• Authors of publication: Sheng, Wei; Zhang, Qi-Hong; Qiu, Zhui-Bai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1418
• a: 8.833 ± 0.005 Å
• b: 6.46 ± 0.004 Å
• c: 22.247 ± 0.012 Å
• α: 90°
• β: 104.14 ± 0.02°
• γ: 90°
• Cell volume: 1231 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes