Information card for entry 2237407

Structure parameters

• Chemical name: 2-Chloro-8,8-dimethyl-8,9-dihydro-7<i>H</i>-chromeno[2,3-<i>b</i>]quinoline- 10,12-dione
• Formula: C18 H14 Cl N O3
• Calculated formula: C18 H14 Cl N O3
• SMILES: c1(ccc2c(c1)C(=O)c1c(nc3c(c1)C(=O)CC(C3)(C)C)O2)Cl
• Title of publication: 2-Chloro-8,8-dimethyl-8,9-dihydro-7<i>H</i>-chromeno[2,3-<i>b</i>]quinoline-10,12-dione
• Authors of publication: Srinivasan, Thothadri; Yuvaraj, Panneerselvam; Reddy, Boreddy S. R.; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o253
• a: 11.4135 ± 0.0004 Å
• b: 11.6663 ± 0.0005 Å
• c: 13.581 ± 0.0006 Å
• α: 69.265 ± 0.003°
• β: 73.868 ± 0.002°
• γ: 64.998 ± 0.005°
• Cell volume: 1515.11 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes