Information card for entry 2227049

Structure parameters

• Chemical name: <i>N</i>-[(9-Ethyl-9<i>H</i>-carbazol-3-yl)methylidene]-3,4- dimethylisoxazol-5-amine
• Formula: C20 H19 N3 O
• Calculated formula: C20 H19 N3 O
• SMILES: o1nc(c(c1/N=C/c1cc2c3ccccc3n(CC)c2cc1)C)C
• Title of publication: <i>N</i>-[(9-Ethyl-9<i>H</i>-carbazol-3-yl)methylidene]-3,4-dimethylisoxazol-5-amine
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tan, Kong Wai; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2046
• a: 8.0575 ± 0.0009 Å
• b: 13.4483 ± 0.0015 Å
• c: 14.8488 ± 0.0016 Å
• α: 90°
• β: 94.049 ± 0.002°
• γ: 90°
• Cell volume: 1605 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1045
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes