Information card for entry 2243253

Structure parameters

• Chemical name: 4-(3,4-Dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide
• Formula: C26 H25 N3 O
• Calculated formula: C26 H25 N3 O
• SMILES: O=C(Nc1cc(c(cc1)C)C)c1cnc2c(c1Nc1cc(c(cc1)C)C)cccc2
• Title of publication: The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide
• Authors of publication: Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Gaspar, Alexandra; Mesiti, Francesco
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 201 - 207
• a: 6.2502 ± 0.0003 Å
• b: 15.7915 ± 0.0006 Å
• c: 20.7395 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2046.99 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes