Information card for entry 2209990

Structure parameters

• Chemical name: 9-(2,5-Dimethoxybenzyl)-9H-carbazole
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• SMILES: O(c1cc(Cn2c3ccccc3c3ccccc23)c(OC)cc1)C
• Title of publication: 9-(2,5-Dimethoxybenzyl)-9<i>H</i>-carbazole: sheets built from C—H···π and π‒π interactions
• Authors of publication: G. Senthil Kumar; K. Chinnakali; K. Sekar; P. Rajakumar; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3594 - o3596
• a: 9.2766 ± 0.0001 Å
• b: 25.0761 ± 0.0003 Å
• c: 7.0947 ± 0.0001 Å
• α: 90°
• β: 101.935 ± 0.001°
• γ: 90°
• Cell volume: 1614.7 ± 0.04 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: 0.0635
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes