Information card for entry 2238973

Structure parameters

• Chemical name: 1-[6-(1<i>H</i>-Indol-1-yl)pyridin-2-yl]-1<i>H</i>-indole-3-carbaldehyde
• Formula: C22 H15 N3 O
• Calculated formula: C22 H15 N3 O
• SMILES: O=Cc1cn(c2c1cccc2)c1cccc(n1)n1ccc2c1cccc2
• Title of publication: 1-[6-(1<i>H</i>-Indol-1-yl)pyridin-2-yl]-1<i>H</i>-indole-3-carbaldehyde
• Authors of publication: Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o106
• a: 18.2208 ± 0.0007 Å
• b: 15.7672 ± 0.0009 Å
• c: 11.7034 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3362.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes