Information card for entry 2237828

Structure parameters

• Chemical name: 3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-dihydroindeno[1,2-<i>b</i>]pyridin-5-one
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: N1C2=C(C(c3cnccc3)C(=C1C)C(=O)C)C(=O)c1c2cccc1
• Title of publication: 3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-dihydroindeno[1,2-<i>b</i>]pyridin-5-one
• Authors of publication: Bisenieks, Imants; Mishnev, Anatoly; Bruvere, Imanta; Vigante, Brigita; Andzans, Zigmars
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o717
• a: 8.4361 ± 0.0003 Å
• b: 8.8812 ± 0.0003 Å
• c: 11.2582 ± 0.0004 Å
• α: 87.692 ± 0.002°
• β: 71.022 ± 0.002°
• γ: 89.21 ± 0.002°
• Cell volume: 797 ± 0.05 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes