Information card for entry 2231888

Structure parameters

• Chemical name: Quinoline-2-carbaldehyde
• Formula: C10 H7 N O
• Calculated formula: C10 H7 N O
• SMILES: O=Cc1nc2ccccc2cc1
• Title of publication: Quinoline-2-carbaldehyde
• Authors of publication: Motswainyana, William M.; Onani, Martin O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2573
• a: 7.0639 ± 0.0007 Å
• b: 21.564 ± 0.002 Å
• c: 10.698 ± 0.001 Å
• α: 90°
• β: 107.884 ± 0.002°
• γ: 90°
• Cell volume: 1550.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes