Information card for entry 2232024

Structure parameters

• Chemical name: 9-<i>p</i>-Tolyl-9<i>H</i>-carbazole-3-carbonitrile
• Formula: C20 H14 N2
• Calculated formula: C20 H14 N2
• SMILES: c12ccccc1c1cc(ccc1n2c1ccc(cc1)C)C#N
• Title of publication: 9-<i>p</i>-Tolyl-9<i>H</i>-carbazole-3-carbonitrile
• Authors of publication: Ramathilagam, C.; Venkatesan, N.; Rajakumar, P.; Umarani, P. R.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2796
• a: 8.6031 ± 0.0003 Å
• b: 8.8247 ± 0.0003 Å
• c: 10.4609 ± 0.0004 Å
• α: 80.514 ± 0.002°
• β: 87.499 ± 0.002°
• γ: 72.114 ± 0.002°
• Cell volume: 745.45 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes