Information card for entry 2015809

Structure parameters

• Chemical name: 9-Methyl-3-phenyldiazenyl-9H-carbazole
• Formula: C19 H15 N3
• Calculated formula: C19 H15 N3
• SMILES: N(=Nc1ccccc1)c1ccc2c(c1)c1ccccc1n2C
• Title of publication: 9-Methyl-3-phenyldiazenyl-9<i>H</i>-carbazole: X-ray and DFT-calculated structures
• Authors of publication: Kyzioł, Janusz B.; Ejsmont, Krzysztof
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o77 - o79
• a: 10.8631 ± 0.0009 Å
• b: 5.3684 ± 0.0005 Å
• c: 24.661 ± 0.002 Å
• α: 90°
• β: 97.833 ± 0.007°
• γ: 90°
• Cell volume: 1424.7 ± 0.2 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes