Information card for entry 2242037

Structure parameters

• Chemical name: 6,7-Dimethoxy-1-(4-nitrophenyl)quinolin-4(1<i>H</i>)-one
• Formula: C17 H14 N2 O5
• Calculated formula: C17 H14 N2 O5
• SMILES: O=c1ccn(c2cc(OC)c(OC)cc12)c1ccc(N(=O)=O)cc1
• Title of publication: Crystal structure of 6,7-dimethoxy-1-(4-nitrophenyl)quinolin-4(1<i>H</i>)-one: a molecular scaffold for potential tubulin polymerization inhibitors
• Authors of publication: Lien, Vegard Torp; Olberg, Dag Erlend; Klaveness, Jo; Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 441 - 444
• a: 8.3736 ± 0.0004 Å
• b: 11.7694 ± 0.0005 Å
• c: 15.5623 ± 0.0008 Å
• α: 90°
• β: 93.251 ± 0.001°
• γ: 90°
• Cell volume: 1531.23 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes