Information card for entry 2209068

Structure parameters

• Chemical name: 3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1H-indole
• Formula: C21 H16 Cl N3
• Calculated formula: C21 H16 Cl N3
• SMILES: Clc1ccc(N=Nc2c3c(n(c2c2ccccc2)C)cccc3)cc1
• Title of publication: 3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1<i>H</i>-indole
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2108 - o2110
• a: 8.0836 ± 0.001 Å
• b: 27.952 ± 0.004 Å
• c: 30.483 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6887.7 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1691
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes